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

C24H19FN6O2 — CID 156818911

IUPAC(4R)-4-cyano-N-[[2-(4-fluoropyrazol-1-yl)-1,6-naphthyridin-7-yl]methyl]-4-methyl-1,3-dihydroisochromene-6-carboxamide
SMILESC[C@@]1(C#N)COCc2ccc(C(=O)NCc3cc4nc(-n5cc(F)cn5)ccc4cn3)cc21
InChIInChI=1S/C24H19FN6O2/c1-24(13-26)14-33-12-17-3-2-15(6-20(17)24)23(32)28-10-19-7-21-16(8-27-19)4-5-22(30-21)31-11-18(25)9-29-31/h2-9,11H,10,12,14H2,1H3,(H,28,32)/t24-/m1/s1
InChIKeyYLMAIETURUVILG-XMMPIXPASA-N
MW442.45 g/mol
LogP3.20
Rot. Bonds4

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

(4R)-4-cyano-N-[[2-(4-fluoropyrazol-1-yl)-1,6-naphthyridin-7-yl]methyl]-4-methyl-1,3-dihydroisochromene-6-carboxamide (PubChem CID 156818911) has the molecular formula C24H19FN6O2 and a molecular weight of 442.45 g/mol. Its IUPAC name is (4R)-4-cyano-N-[[2-(4-fluoropyrazol-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-fluoropyrazol-1-yl)-1,6-naphthyridin-7-yl]methyl]-4-methyl-1,3-dihydroisochromene-6-carboxamide
PubChem CID156818911
Molecular FormulaC24H19FN6O2
Molecular Weight442.45 g/mol
Exact Mass442.16
IUPAC Name(4R)-4-cyano-N-[[2-(4-fluoropyrazol-1-yl)-1,6-naphthyridin-7-yl]methyl]-4-methyl-1,3-dihydroisochromene-6-carboxamide
SMILESC[C@@]1(C#N)COCc2ccc(C(=O)NCc3cc4nc(-n5cc(F)cn5)ccc4cn3)cc21
InChIInChI=1S/C24H19FN6O2/c1-24(13-26)14-33-12-17-3-2-15(6-20(17)24)23(32)28-10-19-7-21-16(8-27-19)4-5-22(30-21)31-11-18(25)9-29-31/h2-9,11H,10,12,14H2,1H3,(H,28,32)/t24-/m1/s1
InChIKeyYLMAIETURUVILG-XMMPIXPASA-N
XLogP3.20
TPSA105.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.45
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-cyano-N-[[2-(4-fluoropyrazol-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-fluoropyrazol-1-yl)-1,6-naphthyridin-7-yl]methyl]-4-methyl-1,3-dihydroisochromene-6-carboxamide (CID 156818911) is (4R)-4-cyano-N-[[2-(4-fluoropyrazol-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-fluoropyrazol-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-fluoropyrazol-1-yl)-1,6-naphthyridin-7-yl]methyl]-4-methyl-1,3-dihydroisochromene-6-carboxamide is C[C@@]1(C#N)COCc2ccc(C(=O)NCc3cc4nc(-n5cc(F)cn5)ccc4cn3)cc21.
What is the InChIKey of (4R)-4-cyano-N-[[2-(4-fluoropyrazol-1-yl)-1,6-naphthyridin-7-yl]methyl]-4-methyl-1,3-dihydroisochromene-6-carboxamide?
The InChIKey is YLMAIETURUVILG-XMMPIXPASA-N. The full InChI is InChI=1S/C24H19FN6O2/c1-24(13-26)14-33-12-17-3-2-15(6-20(17)24)23(32)28-10-19-7-21-16(8-27-19)4-5-22(30-21)31-11-18(25)9-29-31/h2-9,11H,10,12,14H2,1H3,(H,28,32)/t24-/m1/s1.
What are the key properties of (4R)-4-cyano-N-[[2-(4-fluoropyrazol-1-yl)-1,6-naphthyridin-7-yl]methyl]-4-methyl-1,3-dihydroisochromene-6-carboxamide?
(4R)-4-cyano-N-[[2-(4-fluoropyrazol-1-yl)-1,6-naphthyridin-7-yl]methyl]-4-methyl-1,3-dihydroisochromene-6-carboxamide has a molecular weight of 442.45 g/mol, XLogP of 3.20, 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-fluoropyrazol-1-yl)-1,6-naphthyridin-7-yl]methyl]-4-methyl-1,3-dihydroisochromene-6-carboxamide is sourced from PubChem (CID 156818911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).