2-[[8-amino-6-(2,7-dimethyl-3-methylidene-1H-pyrazolo[4,3-b]pyridin-6-yl)-2,7-naphthyridin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one

C24H24N10O — CID 158341777

IUPAC2-[[8-amino-6-(2,7-dimethyl-3-methylidene-1H-pyrazolo[4,3-b]pyridin-6-yl)-2,7-naphthyridin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one
SMILESC=C1c2ncc(-c3cc4cc(Nc5cc6n(n5)CC(=O)NCC6)ncc4c(N)n3)c(C)c2NN1C
InChIInChI=1S/C24H24N10O/c1-12-16(9-28-23-13(2)33(3)32-22(12)23)18-6-14-7-19(27-10-17(14)24(25)29-18)30-20-8-15-4-5-26-21(35)11-34(15)31-20/h6-10,32H,2,4-5,11H2,1,3H3,(H2,25,29)(H,26,35)(H,27,30,31)
InChIKeyGAYCCVSKYJZVGP-UHFFFAOYSA-N
MW468.53 g/mol
LogP2.44
Rot. Bonds3

About 2-[[8-amino-6-(2,7-dimethyl-3-methylidene-1H-pyrazolo[4,3-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-(2,7-dimethyl-3-methylidene-1H-pyrazolo[4,3-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 158341777) has the molecular formula C24H24N10O and a molecular weight of 468.53 g/mol. Its IUPAC name is 2-[[8-amino-6-(2,7-dimethyl-3-methylidene-1H-pyrazolo[4,3-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-(2,7-dimethyl-3-methylidene-1H-pyrazolo[4,3-b]pyridin-6-yl)-2,7-naphthyridin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one
PubChem CID158341777
Molecular FormulaC24H24N10O
Molecular Weight468.53 g/mol
Exact Mass468.21
IUPAC Name2-[[8-amino-6-(2,7-dimethyl-3-methylidene-1H-pyrazolo[4,3-b]pyridin-6-yl)-2,7-naphthyridin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one
SMILESC=C1c2ncc(-c3cc4cc(Nc5cc6n(n5)CC(=O)NCC6)ncc4c(N)n3)c(C)c2NN1C
InChIInChI=1S/C24H24N10O/c1-12-16(9-28-23-13(2)33(3)32-22(12)23)18-6-14-7-19(27-10-17(14)24(25)29-18)30-20-8-15-4-5-26-21(35)11-34(15)31-20/h6-10,32H,2,4-5,11H2,1,3H3,(H2,25,29)(H,26,35)(H,27,30,31)
InChIKeyGAYCCVSKYJZVGP-UHFFFAOYSA-N
XLogP2.44
TPSA138.91 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.53
LogP ≤ 52.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 2-[[8-amino-6-(2,7-dimethyl-3-methylidene-1H-pyrazolo[4,3-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-(2,7-dimethyl-3-methylidene-1H-pyrazolo[4,3-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-(2,7-dimethyl-3-methylidene-1H-pyrazolo[4,3-b]pyridin-6-yl)-2,7-naphthyridin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one (CID 158341777) is 2-[[8-amino-6-(2,7-dimethyl-3-methylidene-1H-pyrazolo[4,3-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-(2,7-dimethyl-3-methylidene-1H-pyrazolo[4,3-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-(2,7-dimethyl-3-methylidene-1H-pyrazolo[4,3-b]pyridin-6-yl)-2,7-naphthyridin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one is C=C1c2ncc(-c3cc4cc(Nc5cc6n(n5)CC(=O)NCC6)ncc4c(N)n3)c(C)c2NN1C.
What is the InChIKey of 2-[[8-amino-6-(2,7-dimethyl-3-methylidene-1H-pyrazolo[4,3-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 GAYCCVSKYJZVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N10O/c1-12-16(9-28-23-13(2)33(3)32-22(12)23)18-6-14-7-19(27-10-17(14)24(25)29-18)30-20-8-15-4-5-26-21(35)11-34(15)31-20/h6-10,32H,2,4-5,11H2,1,3H3,(H2,25,29)(H,26,35)(H,27,30,31).
What are the key properties of 2-[[8-amino-6-(2,7-dimethyl-3-methylidene-1H-pyrazolo[4,3-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-(2,7-dimethyl-3-methylidene-1H-pyrazolo[4,3-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 468.53 g/mol, XLogP of 2.44, 3 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[8-amino-6-(2,7-dimethyl-3-methylidene-1H-pyrazolo[4,3-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 158341777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).