2-[[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]-6-methylspiro[5,8-dihydropyrazolo[1,5-d][1,4]diazepine-4,1'-cyclopropane]-7-one

C24H25N9O — CID 135344746

IUPAC2-[[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]-6-methylspiro[5,8-dihydropyrazolo[1,5-d][1,4]diazepine-4,1'-cyclopropane]-7-one
SMILESCc1c(N)cncc1-c1cc2cc(Nc3cc4n(n3)CC(=O)N(C)CC43CC3)ncc2c(N)n1
InChIInChI=1S/C24H25N9O/c1-13-15(8-27-10-17(13)25)18-5-14-6-20(28-9-16(14)23(26)29-18)30-21-7-19-24(3-4-24)12-32(2)22(34)11-33(19)31-21/h5-10H,3-4,11-12,25H2,1-2H3,(H2,26,29)(H,28,30,31)
InChIKeyUGWWQWLXUJJJJD-UHFFFAOYSA-N
MW455.53 g/mol
LogP2.61
Rot. Bonds3

About 2-[[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]-6-methylspiro[5,8-dihydropyrazolo[1,5-d][1,4]diazepine-4,1'-cyclopropane]-7-one

2-[[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]-6-methylspiro[5,8-dihydropyrazolo[1,5-d][1,4]diazepine-4,1'-cyclopropane]-7-one (PubChem CID 135344746) has the molecular formula C24H25N9O and a molecular weight of 455.53 g/mol. Its IUPAC name is 2-[[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]-6-methylspiro[5,8-dihydropyrazolo[1,5-d][1,4]diazepine-4,1'-cyclopropane]-7-one.

Molecular Properties

Compound Name2-[[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]-6-methylspiro[5,8-dihydropyrazolo[1,5-d][1,4]diazepine-4,1'-cyclopropane]-7-one
PubChem CID135344746
Molecular FormulaC24H25N9O
Molecular Weight455.53 g/mol
Exact Mass455.22
IUPAC Name2-[[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]-6-methylspiro[5,8-dihydropyrazolo[1,5-d][1,4]diazepine-4,1'-cyclopropane]-7-one
SMILESCc1c(N)cncc1-c1cc2cc(Nc3cc4n(n3)CC(=O)N(C)CC43CC3)ncc2c(N)n1
InChIInChI=1S/C24H25N9O/c1-13-15(8-27-10-17(13)25)18-5-14-6-20(28-9-16(14)23(26)29-18)30-21-7-19-24(3-4-24)12-32(2)22(34)11-33(19)31-21/h5-10H,3-4,11-12,25H2,1-2H3,(H2,26,29)(H,28,30,31)
InChIKeyUGWWQWLXUJJJJD-UHFFFAOYSA-N
XLogP2.61
TPSA140.87 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.53
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]-6-methylspiro[5,8-dihydropyrazolo[1,5-d][1,4]diazepine-4,1'-cyclopropane]-7-one?
The IUPAC name of 2-[[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]-6-methylspiro[5,8-dihydropyrazolo[1,5-d][1,4]diazepine-4,1'-cyclopropane]-7-one (CID 135344746) is 2-[[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]-6-methylspiro[5,8-dihydropyrazolo[1,5-d][1,4]diazepine-4,1'-cyclopropane]-7-one.
What is the SMILES notation for 2-[[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]-6-methylspiro[5,8-dihydropyrazolo[1,5-d][1,4]diazepine-4,1'-cyclopropane]-7-one?
The canonical SMILES for 2-[[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]-6-methylspiro[5,8-dihydropyrazolo[1,5-d][1,4]diazepine-4,1'-cyclopropane]-7-one is Cc1c(N)cncc1-c1cc2cc(Nc3cc4n(n3)CC(=O)N(C)CC43CC3)ncc2c(N)n1.
What is the InChIKey of 2-[[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]-6-methylspiro[5,8-dihydropyrazolo[1,5-d][1,4]diazepine-4,1'-cyclopropane]-7-one?
The InChIKey is UGWWQWLXUJJJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N9O/c1-13-15(8-27-10-17(13)25)18-5-14-6-20(28-9-16(14)23(26)29-18)30-21-7-19-24(3-4-24)12-32(2)22(34)11-33(19)31-21/h5-10H,3-4,11-12,25H2,1-2H3,(H2,26,29)(H,28,30,31).
What are the key properties of 2-[[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]-6-methylspiro[5,8-dihydropyrazolo[1,5-d][1,4]diazepine-4,1'-cyclopropane]-7-one?
2-[[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]-6-methylspiro[5,8-dihydropyrazolo[1,5-d][1,4]diazepine-4,1'-cyclopropane]-7-one has a molecular weight of 455.53 g/mol, XLogP of 2.61, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[8-amino-6-(5-amino-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]-6-methylspiro[5,8-dihydropyrazolo[1,5-d][1,4]diazepine-4,1'-cyclopropane]-7-one is sourced from PubChem (CID 135344746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).