2-[[8-amino-6-(5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl)-2,7-naphthyridin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-[(5S)-5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl]-2,7-naphthyridin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-[(5R)-5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl]-2,7-naphthyridin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-(5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl)-2,7-naphthyridin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-[(5S)-5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl]-2,7-naphthyridin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-[(5R)-5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl]-2,7-naphthyridin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one

C153H156F6N48O6 — CID 157364687

IUPAC2-[[8-amino-6-(5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl)-2,7-naphthyridin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-[(5S)-5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl]-2,7-naphthyridin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-[(5R)-5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl]-2,7-naphthyridin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-(5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl)-2,7-naphthyridin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-[(5S)-5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl]-2,7-naphthyridin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-[(5R)-5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl]-2,7-naphthyridin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one
SMILESCc1c(-c2cc3cc(Nc4cc5n(n4)CC(=O)N(C)CC5)ncc3c(N)n2)cnc2c1C(F)CCC2.Cc1c(-c2cc3cc(Nc4cc5n(n4)CC(=O)N(C)CC5)ncc3c(N)n2)cnc2c1[C@@H](F)CCC2.Cc1c(-c2cc3cc(Nc4cc5n(n4)CC(=O)N(C)CC5)ncc3c(N)n2)cnc2c1[C@H](F)CCC2.Cc1c(-c2cc3cc(Nc4cc5n(n4)CC(=O)NCC5)ncc3c(N)n2)cnc2c1C(F)CCC2.Cc1c(-c2cc3cc(Nc4cc5n(n4)CC(=O)NCC5)ncc3c(N)n2)cnc2c1[C@@H](F)CCC2.Cc1c(-c2cc3cc(Nc4cc5n(n4)CC(=O)NCC5)ncc3c(N)n2)cnc2c1[C@H](F)CCC2
InChIInChI=1S/3C26H27FN8O.3C25H25FN8O/c3*1-14-17(11-29-20-5-3-4-19(27)25(14)20)21-8-15-9-22(30-12-18(15)26(28)31-21)32-23-10-16-6-7-34(2)24(36)13-35(16)33-23;3*1-13-16(10-29-19-4-2-3-18(26)24(13)19)20-7-14-8-21(30-11-17(14)25(27)31-20)32-22-9-15-5-6-28-23(35)12-34(15)33-22/h3*8-12,19H,3-7,13H2,1-2H3,(H2,28,31)(H,30,32,33);3*7-11,18H,2-6,12H2,1H3,(H2,27,31)(H,28,35)(H,30,32,33)/t2*19-;;2*18-;/m10.10./s1
InChIKeyBJASZQSWKKPQBN-ZNDAQRCLSA-N
MW2877.25 g/mol
LogP22.28
Rot. Bonds18

About 2-[[8-amino-6-(5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl)-2,7-naphthyridin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-[(5S)-5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl]-2,7-naphthyridin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-[(5R)-5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl]-2,7-naphthyridin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-(5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl)-2,7-naphthyridin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-[(5S)-5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl]-2,7-naphthyridin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-[(5R)-5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl]-2,7-naphthyridin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one

2-[[8-amino-6-(5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl)-2,7-naphthyridin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-[(5S)-5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl]-2,7-naphthyridin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-[(5R)-5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl]-2,7-naphthyridin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-(5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl)-2,7-naphthyridin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-[(5S)-5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl]-2,7-naphthyridin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-[(5R)-5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl]-2,7-naphthyridin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one (PubChem CID 157364687) has the molecular formula C153H156F6N48O6 and a molecular weight of 2877.25 g/mol. Its IUPAC name is 2-[[8-amino-6-(5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl)-2,7-naphthyridin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-[(5S)-5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl]-2,7-naphthyridin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-[(5R)-5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl]-2,7-naphthyridin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-(5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl)-2,7-naphthyridin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-[(5S)-5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl]-2,7-naphthyridin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-[(5R)-5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl]-2,7-naphthyridin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one.

Molecular Properties

Compound Name2-[[8-amino-6-(5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl)-2,7-naphthyridin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-[(5S)-5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl]-2,7-naphthyridin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-[(5R)-5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl]-2,7-naphthyridin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-(5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl)-2,7-naphthyridin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-[(5S)-5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl]-2,7-naphthyridin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-[(5R)-5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl]-2,7-naphthyridin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one
PubChem CID157364687
Molecular FormulaC153H156F6N48O6
Molecular Weight2877.25 g/mol
Exact Mass2875.33
IUPAC Name2-[[8-amino-6-(5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl)-2,7-naphthyridin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-[(5S)-5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl]-2,7-naphthyridin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-[(5R)-5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl]-2,7-naphthyridin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-(5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl)-2,7-naphthyridin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-[(5S)-5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl]-2,7-naphthyridin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-[(5R)-5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl]-2,7-naphthyridin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one
SMILESCc1c(-c2cc3cc(Nc4cc5n(n4)CC(=O)N(C)CC5)ncc3c(N)n2)cnc2c1C(F)CCC2.Cc1c(-c2cc3cc(Nc4cc5n(n4)CC(=O)N(C)CC5)ncc3c(N)n2)cnc2c1[C@@H](F)CCC2.Cc1c(-c2cc3cc(Nc4cc5n(n4)CC(=O)N(C)CC5)ncc3c(N)n2)cnc2c1[C@H](F)CCC2.Cc1c(-c2cc3cc(Nc4cc5n(n4)CC(=O)NCC5)ncc3c(N)n2)cnc2c1C(F)CCC2.Cc1c(-c2cc3cc(Nc4cc5n(n4)CC(=O)NCC5)ncc3c(N)n2)cnc2c1[C@@H](F)CCC2.Cc1c(-c2cc3cc(Nc4cc5n(n4)CC(=O)NCC5)ncc3c(N)n2)cnc2c1[C@H](F)CCC2
InChIInChI=1S/3C26H27FN8O.3C25H25FN8O/c3*1-14-17(11-29-20-5-3-4-19(27)25(14)20)21-8-15-9-22(30-12-18(15)26(28)31-21)32-23-10-16-6-7-34(2)24(36)13-35(16)33-23;3*1-13-16(10-29-19-4-2-3-18(26)24(13)19)20-7-14-8-21(30-11-17(14)25(27)31-20)32-22-9-15-5-6-28-23(35)12-34(15)33-22/h3*8-12,19H,3-7,13H2,1-2H3,(H2,28,31)(H,30,32,33);3*7-11,18H,2-6,12H2,1H3,(H2,27,31)(H,28,35)(H,30,32,33)/t2*19-;;2*18-;/m10.10./s1
InChIKeyBJASZQSWKKPQBN-ZNDAQRCLSA-N
XLogP22.28
TPSA715.47 Ų
H-Bond Donors15
H-Bond Acceptors48
Rotatable Bonds18
Heavy Atoms213
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002877.25
LogP ≤ 522.28
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1048

Analyze 2-[[8-amino-6-(5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl)-2,7-naphthyridin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-[(5S)-5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl]-2,7-naphthyridin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-[(5R)-5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl]-2,7-naphthyridin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-(5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl)-2,7-naphthyridin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-[(5S)-5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl]-2,7-naphthyridin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-[(5R)-5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl]-2,7-naphthyridin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[8-amino-6-(5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl)-2,7-naphthyridin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-[(5S)-5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl]-2,7-naphthyridin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-[(5R)-5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl]-2,7-naphthyridin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-(5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl)-2,7-naphthyridin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-[(5S)-5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl]-2,7-naphthyridin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-[(5R)-5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl]-2,7-naphthyridin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one?
The IUPAC name of 2-[[8-amino-6-(5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl)-2,7-naphthyridin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-[(5S)-5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl]-2,7-naphthyridin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-[(5R)-5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl]-2,7-naphthyridin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-(5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl)-2,7-naphthyridin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-[(5S)-5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl]-2,7-naphthyridin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-[(5R)-5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl]-2,7-naphthyridin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one (CID 157364687) is 2-[[8-amino-6-(5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl)-2,7-naphthyridin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-[(5S)-5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl]-2,7-naphthyridin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-[(5R)-5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl]-2,7-naphthyridin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-(5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl)-2,7-naphthyridin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-[(5S)-5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl]-2,7-naphthyridin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-[(5R)-5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl]-2,7-naphthyridin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one.
What is the SMILES notation for 2-[[8-amino-6-(5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl)-2,7-naphthyridin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-[(5S)-5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl]-2,7-naphthyridin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-[(5R)-5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl]-2,7-naphthyridin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-(5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl)-2,7-naphthyridin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-[(5S)-5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl]-2,7-naphthyridin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-[(5R)-5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl]-2,7-naphthyridin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one?
The canonical SMILES for 2-[[8-amino-6-(5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl)-2,7-naphthyridin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-[(5S)-5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl]-2,7-naphthyridin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-[(5R)-5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl]-2,7-naphthyridin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-(5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl)-2,7-naphthyridin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-[(5S)-5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl]-2,7-naphthyridin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-[(5R)-5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl]-2,7-naphthyridin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one is Cc1c(-c2cc3cc(Nc4cc5n(n4)CC(=O)N(C)CC5)ncc3c(N)n2)cnc2c1C(F)CCC2.Cc1c(-c2cc3cc(Nc4cc5n(n4)CC(=O)N(C)CC5)ncc3c(N)n2)cnc2c1[C@@H](F)CCC2.Cc1c(-c2cc3cc(Nc4cc5n(n4)CC(=O)N(C)CC5)ncc3c(N)n2)cnc2c1[C@H](F)CCC2.Cc1c(-c2cc3cc(Nc4cc5n(n4)CC(=O)NCC5)ncc3c(N)n2)cnc2c1C(F)CCC2.Cc1c(-c2cc3cc(Nc4cc5n(n4)CC(=O)NCC5)ncc3c(N)n2)cnc2c1[C@@H](F)CCC2.Cc1c(-c2cc3cc(Nc4cc5n(n4)CC(=O)NCC5)ncc3c(N)n2)cnc2c1[C@H](F)CCC2.
What is the InChIKey of 2-[[8-amino-6-(5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl)-2,7-naphthyridin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-[(5S)-5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl]-2,7-naphthyridin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-[(5R)-5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl]-2,7-naphthyridin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-(5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl)-2,7-naphthyridin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-[(5S)-5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl]-2,7-naphthyridin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-[(5R)-5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl]-2,7-naphthyridin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one?
The InChIKey is BJASZQSWKKPQBN-ZNDAQRCLSA-N. The full InChI is InChI=1S/3C26H27FN8O.3C25H25FN8O/c3*1-14-17(11-29-20-5-3-4-19(27)25(14)20)21-8-15-9-22(30-12-18(15)26(28)31-21)32-23-10-16-6-7-34(2)24(36)13-35(16)33-23;3*1-13-16(10-29-19-4-2-3-18(26)24(13)19)20-7-14-8-21(30-11-17(14)25(27)31-20)32-22-9-15-5-6-28-23(35)12-34(15)33-22/h3*8-12,19H,3-7,13H2,1-2H3,(H2,28,31)(H,30,32,33);3*7-11,18H,2-6,12H2,1H3,(H2,27,31)(H,28,35)(H,30,32,33)/t2*19-;;2*18-;/m10.10./s1.
What are the key properties of 2-[[8-amino-6-(5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl)-2,7-naphthyridin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-[(5S)-5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl]-2,7-naphthyridin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-[(5R)-5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl]-2,7-naphthyridin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-(5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl)-2,7-naphthyridin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-[(5S)-5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl]-2,7-naphthyridin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-[(5R)-5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl]-2,7-naphthyridin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one?
2-[[8-amino-6-(5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl)-2,7-naphthyridin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-[(5S)-5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl]-2,7-naphthyridin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-[(5R)-5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl]-2,7-naphthyridin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-(5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl)-2,7-naphthyridin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-[(5S)-5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl]-2,7-naphthyridin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-[(5R)-5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl]-2,7-naphthyridin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one has a molecular weight of 2877.25 g/mol, XLogP of 22.28, 18 rotatable bonds, 15 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[8-amino-6-(5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl)-2,7-naphthyridin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-[(5S)-5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl]-2,7-naphthyridin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-[(5R)-5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl]-2,7-naphthyridin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-(5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl)-2,7-naphthyridin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-[(5S)-5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl]-2,7-naphthyridin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-[(5R)-5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl]-2,7-naphthyridin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one is sourced from PubChem (CID 157364687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).