2-[[8-amino-6-(3-hydroxy-2,2,7-trimethyl-1,3-dihydropyrrolo[3,2-b]pyridin-6-yl)-2,7-naphthyridin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one

C25H27N9O2 — CID 135344976

IUPAC2-[[8-amino-6-(3-hydroxy-2,2,7-trimethyl-1,3-dihydropyrrolo[3,2-b]pyridin-6-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)NCC5)ncc3c(N)n2)cnc2c1NC(C)(C)C2O
InChIInChI=1S/C25H27N9O2/c1-12-15(9-29-22-21(12)32-25(2,3)23(22)36)17-6-13-7-18(28-10-16(13)24(26)30-17)31-19-8-14-4-5-27-20(35)11-34(14)33-19/h6-10,23,32,36H,4-5,11H2,1-3H3,(H2,26,30)(H,27,35)(H,28,31,33)
InChIKeyYVWWUFDSSHQFAB-UHFFFAOYSA-N
MW485.55 g/mol
LogP2.43
Rot. Bonds3

About 2-[[8-amino-6-(3-hydroxy-2,2,7-trimethyl-1,3-dihydropyrrolo[3,2-b]pyridin-6-yl)-2,7-naphthyridin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one

2-[[8-amino-6-(3-hydroxy-2,2,7-trimethyl-1,3-dihydropyrrolo[3,2-b]pyridin-6-yl)-2,7-naphthyridin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one (PubChem CID 135344976) has the molecular formula C25H27N9O2 and a molecular weight of 485.55 g/mol. Its IUPAC name is 2-[[8-amino-6-(3-hydroxy-2,2,7-trimethyl-1,3-dihydropyrrolo[3,2-b]pyridin-6-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-(3-hydroxy-2,2,7-trimethyl-1,3-dihydropyrrolo[3,2-b]pyridin-6-yl)-2,7-naphthyridin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one
PubChem CID135344976
Molecular FormulaC25H27N9O2
Molecular Weight485.55 g/mol
Exact Mass485.23
IUPAC Name2-[[8-amino-6-(3-hydroxy-2,2,7-trimethyl-1,3-dihydropyrrolo[3,2-b]pyridin-6-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)NCC5)ncc3c(N)n2)cnc2c1NC(C)(C)C2O
InChIInChI=1S/C25H27N9O2/c1-12-15(9-29-22-21(12)32-25(2,3)23(22)36)17-6-13-7-18(28-10-16(13)24(26)30-17)31-19-8-14-4-5-27-20(35)11-34(14)33-19/h6-10,23,32,36H,4-5,11H2,1-3H3,(H2,26,30)(H,27,35)(H,28,31,33)
InChIKeyYVWWUFDSSHQFAB-UHFFFAOYSA-N
XLogP2.43
TPSA155.90 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.55
LogP ≤ 52.43
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze 2-[[8-amino-6-(3-hydroxy-2,2,7-trimethyl-1,3-dihydropyrrolo[3,2-b]pyridin-6-yl)-2,7-naphthyridin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[8-amino-6-(3-hydroxy-2,2,7-trimethyl-1,3-dihydropyrrolo[3,2-b]pyridin-6-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-(3-hydroxy-2,2,7-trimethyl-1,3-dihydropyrrolo[3,2-b]pyridin-6-yl)-2,7-naphthyridin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one (CID 135344976) is 2-[[8-amino-6-(3-hydroxy-2,2,7-trimethyl-1,3-dihydropyrrolo[3,2-b]pyridin-6-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-(3-hydroxy-2,2,7-trimethyl-1,3-dihydropyrrolo[3,2-b]pyridin-6-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-(3-hydroxy-2,2,7-trimethyl-1,3-dihydropyrrolo[3,2-b]pyridin-6-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)NCC5)ncc3c(N)n2)cnc2c1NC(C)(C)C2O.
What is the InChIKey of 2-[[8-amino-6-(3-hydroxy-2,2,7-trimethyl-1,3-dihydropyrrolo[3,2-b]pyridin-6-yl)-2,7-naphthyridin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one?
The InChIKey is YVWWUFDSSHQFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N9O2/c1-12-15(9-29-22-21(12)32-25(2,3)23(22)36)17-6-13-7-18(28-10-16(13)24(26)30-17)31-19-8-14-4-5-27-20(35)11-34(14)33-19/h6-10,23,32,36H,4-5,11H2,1-3H3,(H2,26,30)(H,27,35)(H,28,31,33).
What are the key properties of 2-[[8-amino-6-(3-hydroxy-2,2,7-trimethyl-1,3-dihydropyrrolo[3,2-b]pyridin-6-yl)-2,7-naphthyridin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one?
2-[[8-amino-6-(3-hydroxy-2,2,7-trimethyl-1,3-dihydropyrrolo[3,2-b]pyridin-6-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 485.55 g/mol, XLogP of 2.43, 3 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[8-amino-6-(3-hydroxy-2,2,7-trimethyl-1,3-dihydropyrrolo[3,2-b]pyridin-6-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 135344976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).