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

C25H21FN6O2 — CID 156819247

IUPAC(4R)-4-cyano-N-[[2-(4-fluoro-3-methylpyrazol-1-yl)-1,6-naphthyridin-7-yl]methyl]-4-methyl-1,3-dihydroisochromene-6-carboxamide
SMILESCc1nn(-c2ccc3cnc(CNC(=O)c4ccc5c(c4)[C@](C)(C#N)COC5)cc3n2)cc1F
InChIInChI=1S/C25H21FN6O2/c1-15-21(26)11-32(31-15)23-6-5-17-9-28-19(8-22(17)30-23)10-29-24(33)16-3-4-18-12-34-14-25(2,13-27)20(18)7-16/h3-9,11H,10,12,14H2,1-2H3,(H,29,33)/t25-/m1/s1
InChIKeyUKBNLVBIUOXCPF-RUZDIDTESA-N
MW456.48 g/mol
LogP3.50
Rot. Bonds4

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

(4R)-4-cyano-N-[[2-(4-fluoro-3-methylpyrazol-1-yl)-1,6-naphthyridin-7-yl]methyl]-4-methyl-1,3-dihydroisochromene-6-carboxamide (PubChem CID 156819247) has the molecular formula C25H21FN6O2 and a molecular weight of 456.48 g/mol. Its IUPAC name is (4R)-4-cyano-N-[[2-(4-fluoro-3-methylpyrazol-1-yl)-1,6-naphthyridin-7-yl]methyl]-4-methyl-1,3-dihydroisochromene-6-carboxamide.

Molecular Properties

Compound Name(4R)-4-cyano-N-[[2-(4-fluoro-3-methylpyrazol-1-yl)-1,6-naphthyridin-7-yl]methyl]-4-methyl-1,3-dihydroisochromene-6-carboxamide
PubChem CID156819247
Molecular FormulaC25H21FN6O2
Molecular Weight456.48 g/mol
Exact Mass456.17
IUPAC Name(4R)-4-cyano-N-[[2-(4-fluoro-3-methylpyrazol-1-yl)-1,6-naphthyridin-7-yl]methyl]-4-methyl-1,3-dihydroisochromene-6-carboxamide
SMILESCc1nn(-c2ccc3cnc(CNC(=O)c4ccc5c(c4)[C@](C)(C#N)COC5)cc3n2)cc1F
InChIInChI=1S/C25H21FN6O2/c1-15-21(26)11-32(31-15)23-6-5-17-9-28-19(8-22(17)30-23)10-29-24(33)16-3-4-18-12-34-14-25(2,13-27)20(18)7-16/h3-9,11H,10,12,14H2,1-2H3,(H,29,33)/t25-/m1/s1
InChIKeyUKBNLVBIUOXCPF-RUZDIDTESA-N
XLogP3.50
TPSA105.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.48
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-cyano-N-[[2-(4-fluoro-3-methylpyrazol-1-yl)-1,6-naphthyridin-7-yl]methyl]-4-methyl-1,3-dihydroisochromene-6-carboxamide?
The IUPAC name of (4R)-4-cyano-N-[[2-(4-fluoro-3-methylpyrazol-1-yl)-1,6-naphthyridin-7-yl]methyl]-4-methyl-1,3-dihydroisochromene-6-carboxamide (CID 156819247) is (4R)-4-cyano-N-[[2-(4-fluoro-3-methylpyrazol-1-yl)-1,6-naphthyridin-7-yl]methyl]-4-methyl-1,3-dihydroisochromene-6-carboxamide.
What is the SMILES notation for (4R)-4-cyano-N-[[2-(4-fluoro-3-methylpyrazol-1-yl)-1,6-naphthyridin-7-yl]methyl]-4-methyl-1,3-dihydroisochromene-6-carboxamide?
The canonical SMILES for (4R)-4-cyano-N-[[2-(4-fluoro-3-methylpyrazol-1-yl)-1,6-naphthyridin-7-yl]methyl]-4-methyl-1,3-dihydroisochromene-6-carboxamide is Cc1nn(-c2ccc3cnc(CNC(=O)c4ccc5c(c4)[C@](C)(C#N)COC5)cc3n2)cc1F.
What is the InChIKey of (4R)-4-cyano-N-[[2-(4-fluoro-3-methylpyrazol-1-yl)-1,6-naphthyridin-7-yl]methyl]-4-methyl-1,3-dihydroisochromene-6-carboxamide?
The InChIKey is UKBNLVBIUOXCPF-RUZDIDTESA-N. The full InChI is InChI=1S/C25H21FN6O2/c1-15-21(26)11-32(31-15)23-6-5-17-9-28-19(8-22(17)30-23)10-29-24(33)16-3-4-18-12-34-14-25(2,13-27)20(18)7-16/h3-9,11H,10,12,14H2,1-2H3,(H,29,33)/t25-/m1/s1.
What are the key properties of (4R)-4-cyano-N-[[2-(4-fluoro-3-methylpyrazol-1-yl)-1,6-naphthyridin-7-yl]methyl]-4-methyl-1,3-dihydroisochromene-6-carboxamide?
(4R)-4-cyano-N-[[2-(4-fluoro-3-methylpyrazol-1-yl)-1,6-naphthyridin-7-yl]methyl]-4-methyl-1,3-dihydroisochromene-6-carboxamide has a molecular weight of 456.48 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-cyano-N-[[2-(4-fluoro-3-methylpyrazol-1-yl)-1,6-naphthyridin-7-yl]methyl]-4-methyl-1,3-dihydroisochromene-6-carboxamide is sourced from PubChem (CID 156819247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).