(4R)-4-cyano-4-methyl-N-[[2-(2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)-1,6-naphthyridin-7-yl]methyl]-1,3-dihydroisochromene-6-carboxamide

C28H27N7O2 — CID 168723542

IUPAC(4R)-4-cyano-4-methyl-N-[[2-(2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)-1,6-naphthyridin-7-yl]methyl]-1,3-dihydroisochromene-6-carboxamide
SMILESCn1cc2c(n1)CN(c1ccc3cnc(CNC(=O)c4ccc5c(c4)[C@](C)(C#N)COC5)cc3n1)CC2
InChIInChI=1S/C28H27N7O2/c1-28(16-29)17-37-15-21-4-3-18(9-23(21)28)27(36)31-12-22-10-24-19(11-30-22)5-6-26(32-24)35-8-7-20-13-34(2)33-25(20)14-35/h3-6,9-11,13H,7-8,12,14-15,17H2,1-2H3,(H,31,36)/t28-/m1/s1
InChIKeyQLEKBUUDCMHNOX-MUUNZHRXSA-N
MW493.57 g/mol
LogP3.17
Rot. Bonds4

About (4R)-4-cyano-4-methyl-N-[[2-(2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)-1,6-naphthyridin-7-yl]methyl]-1,3-dihydroisochromene-6-carboxamide

(4R)-4-cyano-4-methyl-N-[[2-(2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)-1,6-naphthyridin-7-yl]methyl]-1,3-dihydroisochromene-6-carboxamide (PubChem CID 168723542) has the molecular formula C28H27N7O2 and a molecular weight of 493.57 g/mol. Its IUPAC name is (4R)-4-cyano-4-methyl-N-[[2-(2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)-1,6-naphthyridin-7-yl]methyl]-1,3-dihydroisochromene-6-carboxamide.

Molecular Properties

Compound Name(4R)-4-cyano-4-methyl-N-[[2-(2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)-1,6-naphthyridin-7-yl]methyl]-1,3-dihydroisochromene-6-carboxamide
PubChem CID168723542
Molecular FormulaC28H27N7O2
Molecular Weight493.57 g/mol
Exact Mass493.22
IUPAC Name(4R)-4-cyano-4-methyl-N-[[2-(2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)-1,6-naphthyridin-7-yl]methyl]-1,3-dihydroisochromene-6-carboxamide
SMILESCn1cc2c(n1)CN(c1ccc3cnc(CNC(=O)c4ccc5c(c4)[C@](C)(C#N)COC5)cc3n1)CC2
InChIInChI=1S/C28H27N7O2/c1-28(16-29)17-37-15-21-4-3-18(9-23(21)28)27(36)31-12-22-10-24-19(11-30-22)5-6-26(32-24)35-8-7-20-13-34(2)33-25(20)14-35/h3-6,9-11,13H,7-8,12,14-15,17H2,1-2H3,(H,31,36)/t28-/m1/s1
InChIKeyQLEKBUUDCMHNOX-MUUNZHRXSA-N
XLogP3.17
TPSA108.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.57
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (4R)-4-cyano-4-methyl-N-[[2-(2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)-1,6-naphthyridin-7-yl]methyl]-1,3-dihydroisochromene-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-cyano-4-methyl-N-[[2-(2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)-1,6-naphthyridin-7-yl]methyl]-1,3-dihydroisochromene-6-carboxamide?
The IUPAC name of (4R)-4-cyano-4-methyl-N-[[2-(2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)-1,6-naphthyridin-7-yl]methyl]-1,3-dihydroisochromene-6-carboxamide (CID 168723542) is (4R)-4-cyano-4-methyl-N-[[2-(2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)-1,6-naphthyridin-7-yl]methyl]-1,3-dihydroisochromene-6-carboxamide.
What is the SMILES notation for (4R)-4-cyano-4-methyl-N-[[2-(2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)-1,6-naphthyridin-7-yl]methyl]-1,3-dihydroisochromene-6-carboxamide?
The canonical SMILES for (4R)-4-cyano-4-methyl-N-[[2-(2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)-1,6-naphthyridin-7-yl]methyl]-1,3-dihydroisochromene-6-carboxamide is Cn1cc2c(n1)CN(c1ccc3cnc(CNC(=O)c4ccc5c(c4)[C@](C)(C#N)COC5)cc3n1)CC2.
What is the InChIKey of (4R)-4-cyano-4-methyl-N-[[2-(2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)-1,6-naphthyridin-7-yl]methyl]-1,3-dihydroisochromene-6-carboxamide?
The InChIKey is QLEKBUUDCMHNOX-MUUNZHRXSA-N. The full InChI is InChI=1S/C28H27N7O2/c1-28(16-29)17-37-15-21-4-3-18(9-23(21)28)27(36)31-12-22-10-24-19(11-30-22)5-6-26(32-24)35-8-7-20-13-34(2)33-25(20)14-35/h3-6,9-11,13H,7-8,12,14-15,17H2,1-2H3,(H,31,36)/t28-/m1/s1.
What are the key properties of (4R)-4-cyano-4-methyl-N-[[2-(2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)-1,6-naphthyridin-7-yl]methyl]-1,3-dihydroisochromene-6-carboxamide?
(4R)-4-cyano-4-methyl-N-[[2-(2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)-1,6-naphthyridin-7-yl]methyl]-1,3-dihydroisochromene-6-carboxamide has a molecular weight of 493.57 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-cyano-4-methyl-N-[[2-(2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)-1,6-naphthyridin-7-yl]methyl]-1,3-dihydroisochromene-6-carboxamide is sourced from PubChem (CID 168723542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).