(4R)-4-cyano-4-methyl-N-[[2-(1-methylindazol-6-yl)-1,6-naphthyridin-7-yl]methyl]-1,3-dihydroisochromene-6-carboxamide

C29H24N6O2 — CID 156819482

IUPAC(4R)-4-cyano-4-methyl-N-[[2-(1-methylindazol-6-yl)-1,6-naphthyridin-7-yl]methyl]-1,3-dihydroisochromene-6-carboxamide
SMILESCn1ncc2ccc(-c3ccc4cnc(CNC(=O)c5ccc6c(c5)[C@](C)(C#N)COC6)cc4n3)cc21
InChIInChI=1S/C29H24N6O2/c1-29(16-30)17-37-15-22-6-4-19(9-24(22)29)28(36)32-14-23-11-26-20(12-31-23)7-8-25(34-26)18-3-5-21-13-33-35(2)27(21)10-18/h3-13H,14-15,17H2,1-2H3,(H,32,36)/t29-/m1/s1
InChIKeyRTXBNZBGFKMKIC-GDLZYMKVSA-N
MW488.55 g/mol
LogP4.42
Rot. Bonds4

About (4R)-4-cyano-4-methyl-N-[[2-(1-methylindazol-6-yl)-1,6-naphthyridin-7-yl]methyl]-1,3-dihydroisochromene-6-carboxamide

(4R)-4-cyano-4-methyl-N-[[2-(1-methylindazol-6-yl)-1,6-naphthyridin-7-yl]methyl]-1,3-dihydroisochromene-6-carboxamide (PubChem CID 156819482) has the molecular formula C29H24N6O2 and a molecular weight of 488.55 g/mol. Its IUPAC name is (4R)-4-cyano-4-methyl-N-[[2-(1-methylindazol-6-yl)-1,6-naphthyridin-7-yl]methyl]-1,3-dihydroisochromene-6-carboxamide.

Molecular Properties

Compound Name(4R)-4-cyano-4-methyl-N-[[2-(1-methylindazol-6-yl)-1,6-naphthyridin-7-yl]methyl]-1,3-dihydroisochromene-6-carboxamide
PubChem CID156819482
Molecular FormulaC29H24N6O2
Molecular Weight488.55 g/mol
Exact Mass488.20
IUPAC Name(4R)-4-cyano-4-methyl-N-[[2-(1-methylindazol-6-yl)-1,6-naphthyridin-7-yl]methyl]-1,3-dihydroisochromene-6-carboxamide
SMILESCn1ncc2ccc(-c3ccc4cnc(CNC(=O)c5ccc6c(c5)[C@](C)(C#N)COC6)cc4n3)cc21
InChIInChI=1S/C29H24N6O2/c1-29(16-30)17-37-15-22-6-4-19(9-24(22)29)28(36)32-14-23-11-26-20(12-31-23)7-8-25(34-26)18-3-5-21-13-33-35(2)27(21)10-18/h3-13H,14-15,17H2,1-2H3,(H,32,36)/t29-/m1/s1
InChIKeyRTXBNZBGFKMKIC-GDLZYMKVSA-N
XLogP4.42
TPSA105.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.55
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4R)-4-cyano-4-methyl-N-[[2-(1-methylindazol-6-yl)-1,6-naphthyridin-7-yl]methyl]-1,3-dihydroisochromene-6-carboxamide with MolForge

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Related Compounds

(4R)-4-cyano-4-methyl-N-[[2-(1-propan-2-ylindol-4-yl)-1,6-naphthyridin-7-yl]methyl]-1,3-dihydroisochromene-6-carboxamide
CID 168723753
(4R)-4-cyano-4-methyl-N-[[2-(2-morpholin-4-ylpyrimidin-4-yl)-1,6-naphthyridin-7-yl]methyl]-1,3-dihydroisochromene-6-carboxamide
CID 168723485
(4R)-4-cyano-4-methyl-N-[[2-(6-morpholin-4-yl-2-pyridinyl)-1,6-naphthyridin-7-yl]methyl]-1,3-dihydroisochromene-6-carboxamide
CID 168723825
(4R)-4-cyano-4-methyl-N-[(2-piperidin-1-yl-1,6-naphthyridin-7-yl)methyl]-1,3-dihydroisochromene-6-carboxamide
CID 156819106
4-cyano-N-[[2-(7-fluoro-1,2-dimethylindol-4-yl)-1,6-naphthyridin-7-yl]methyl]-4-methyl-1,3-dihydroisochromene-6-carboxamide
CID 166682165
(4R)-4-cyano-4-methyl-N-[[2-[2-(oxan-4-yl)pyrimidin-4-yl]-1,6-naphthyridin-7-yl]methyl]-1,3-dihydroisochromene-6-carboxamide
CID 168723718
(4R)-4-cyano-N-[[2-(4-methoxy-3-pyridinyl)-1,6-naphthyridin-7-yl]methyl]-4-methyl-1,3-dihydroisochromene-6-carboxamide
CID 168723457
(4R)-4-cyano-N-[[2-[1-(2,2-difluoroethyl)indol-4-yl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-1,3-dihydroisochromene-6-carboxamide
CID 168723643
(4R)-4-cyano-N-[[2-[2-(3-methoxypyrrolidin-1-yl)pyrimidin-4-yl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-1,3-dihydroisochromene-6-carboxamide
CID 168723733
N-[[2-(3-bromo-4-fluoropyrazol-1-yl)-1,6-naphthyridin-7-yl]methyl]-4-cyano-4-methyl-1,3-dihydroisochromene-6-carboxamide
CID 166682247
(4R)-4-cyano-N-[[2-[3-(difluoromethoxy)-1-(oxetan-3-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-1,3-dihydroisochromene-6-carboxamide
CID 168723467
(4R)-4-cyano-4-methyl-N-[(2-phenyl-1,6-naphthyridin-7-yl)methyl]-2,3-dihydrochromene-6-carboxamide
CID 156819318

Frequently Asked Questions

What is the IUPAC name of (4R)-4-cyano-4-methyl-N-[[2-(1-methylindazol-6-yl)-1,6-naphthyridin-7-yl]methyl]-1,3-dihydroisochromene-6-carboxamide?
The IUPAC name of (4R)-4-cyano-4-methyl-N-[[2-(1-methylindazol-6-yl)-1,6-naphthyridin-7-yl]methyl]-1,3-dihydroisochromene-6-carboxamide (CID 156819482) is (4R)-4-cyano-4-methyl-N-[[2-(1-methylindazol-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-(1-methylindazol-6-yl)-1,6-naphthyridin-7-yl]methyl]-1,3-dihydroisochromene-6-carboxamide?
The canonical SMILES for (4R)-4-cyano-4-methyl-N-[[2-(1-methylindazol-6-yl)-1,6-naphthyridin-7-yl]methyl]-1,3-dihydroisochromene-6-carboxamide is Cn1ncc2ccc(-c3ccc4cnc(CNC(=O)c5ccc6c(c5)[C@](C)(C#N)COC6)cc4n3)cc21.
What is the InChIKey of (4R)-4-cyano-4-methyl-N-[[2-(1-methylindazol-6-yl)-1,6-naphthyridin-7-yl]methyl]-1,3-dihydroisochromene-6-carboxamide?
The InChIKey is RTXBNZBGFKMKIC-GDLZYMKVSA-N. The full InChI is InChI=1S/C29H24N6O2/c1-29(16-30)17-37-15-22-6-4-19(9-24(22)29)28(36)32-14-23-11-26-20(12-31-23)7-8-25(34-26)18-3-5-21-13-33-35(2)27(21)10-18/h3-13H,14-15,17H2,1-2H3,(H,32,36)/t29-/m1/s1.
What are the key properties of (4R)-4-cyano-4-methyl-N-[[2-(1-methylindazol-6-yl)-1,6-naphthyridin-7-yl]methyl]-1,3-dihydroisochromene-6-carboxamide?
(4R)-4-cyano-4-methyl-N-[[2-(1-methylindazol-6-yl)-1,6-naphthyridin-7-yl]methyl]-1,3-dihydroisochromene-6-carboxamide has a molecular weight of 488.55 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-cyano-4-methyl-N-[[2-(1-methylindazol-6-yl)-1,6-naphthyridin-7-yl]methyl]-1,3-dihydroisochromene-6-carboxamide is sourced from PubChem (CID 156819482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).