(3R)-5-[5-fluoro-2-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile

C24H24FN7O — CID 138580926

IUPAC(3R)-5-[5-fluoro-2-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile
SMILESCN1CCc2ncc(Nc3ncc(F)c(-c4cc(C#N)c5c(c4)[C@@](C)(CO)CN5)n3)cc2C1
InChIInChI=1S/C24H24FN7O/c1-24(13-33)12-29-21-15(8-26)5-14(7-18(21)24)22-19(25)10-28-23(31-22)30-17-6-16-11-32(2)4-3-20(16)27-9-17/h5-7,9-10,29,33H,3-4,11-13H2,1-2H3,(H,28,30,31)/t24-/m1/s1
InChIKeyAAVYHFUJMJVIPU-XMMPIXPASA-N
MW445.50 g/mol
LogP2.96
Rot. Bonds4

About (3R)-5-[5-fluoro-2-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile

(3R)-5-[5-fluoro-2-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile (PubChem CID 138580926) has the molecular formula C24H24FN7O and a molecular weight of 445.50 g/mol. Its IUPAC name is (3R)-5-[5-fluoro-2-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile.

Molecular Properties

Compound Name(3R)-5-[5-fluoro-2-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile
PubChem CID138580926
Molecular FormulaC24H24FN7O
Molecular Weight445.50 g/mol
Exact Mass445.20
IUPAC Name(3R)-5-[5-fluoro-2-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile
SMILESCN1CCc2ncc(Nc3ncc(F)c(-c4cc(C#N)c5c(c4)[C@@](C)(CO)CN5)n3)cc2C1
InChIInChI=1S/C24H24FN7O/c1-24(13-33)12-29-21-15(8-26)5-14(7-18(21)24)22-19(25)10-28-23(31-22)30-17-6-16-11-32(2)4-3-20(16)27-9-17/h5-7,9-10,29,33H,3-4,11-13H2,1-2H3,(H,28,30,31)/t24-/m1/s1
InChIKeyAAVYHFUJMJVIPU-XMMPIXPASA-N
XLogP2.96
TPSA109.99 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (3R)-5-[5-fluoro-2-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-5-[5-fluoro-2-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile?
The IUPAC name of (3R)-5-[5-fluoro-2-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile (CID 138580926) is (3R)-5-[5-fluoro-2-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile.
What is the SMILES notation for (3R)-5-[5-fluoro-2-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile?
The canonical SMILES for (3R)-5-[5-fluoro-2-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile is CN1CCc2ncc(Nc3ncc(F)c(-c4cc(C#N)c5c(c4)[C@@](C)(CO)CN5)n3)cc2C1.
What is the InChIKey of (3R)-5-[5-fluoro-2-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile?
The InChIKey is AAVYHFUJMJVIPU-XMMPIXPASA-N. The full InChI is InChI=1S/C24H24FN7O/c1-24(13-33)12-29-21-15(8-26)5-14(7-18(21)24)22-19(25)10-28-23(31-22)30-17-6-16-11-32(2)4-3-20(16)27-9-17/h5-7,9-10,29,33H,3-4,11-13H2,1-2H3,(H,28,30,31)/t24-/m1/s1.
What are the key properties of (3R)-5-[5-fluoro-2-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile?
(3R)-5-[5-fluoro-2-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile has a molecular weight of 445.50 g/mol, XLogP of 2.96, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-[5-fluoro-2-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile is sourced from PubChem (CID 138580926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).