1-[6-[[2-[(3S,4R)-3-fluoro-4-hydroxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-4-propan-2-yl-2,7-naphthyridin-1-yl]azetidine-3-carbonitrile

C25H29FN8O — CID 166546562

IUPAC1-[6-[[2-[(3S,4R)-3-fluoro-4-hydroxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-4-propan-2-yl-2,7-naphthyridin-1-yl]azetidine-3-carbonitrile
SMILESCC(C)c1cnc(N2CC(C#N)C2)c2cnc(Nc3ccnc(N4CC[C@@H](O)[C@@](C)(F)C4)n3)cc12
InChIInChI=1S/C25H29FN8O/c1-15(2)18-10-30-23(34-12-16(9-27)13-34)19-11-29-22(8-17(18)19)31-21-4-6-28-24(32-21)33-7-5-20(35)25(3,26)14-33/h4,6,8,10-11,15-16,20,35H,5,7,12-14H2,1-3H3,(H,28,29,31,32)/t20-,25+/m1/s1
InChIKeyAOHNZGASXYBKDI-NLFFAJNJSA-N
MW476.56 g/mol
LogP3.55
Rot. Bonds5

About 1-[6-[[2-[(3S,4R)-3-fluoro-4-hydroxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-4-propan-2-yl-2,7-naphthyridin-1-yl]azetidine-3-carbonitrile

1-[6-[[2-[(3S,4R)-3-fluoro-4-hydroxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-4-propan-2-yl-2,7-naphthyridin-1-yl]azetidine-3-carbonitrile (PubChem CID 166546562) has the molecular formula C25H29FN8O and a molecular weight of 476.56 g/mol. Its IUPAC name is 1-[6-[[2-[(3S,4R)-3-fluoro-4-hydroxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-4-propan-2-yl-2,7-naphthyridin-1-yl]azetidine-3-carbonitrile.

Molecular Properties

Compound Name1-[6-[[2-[(3S,4R)-3-fluoro-4-hydroxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-4-propan-2-yl-2,7-naphthyridin-1-yl]azetidine-3-carbonitrile
PubChem CID166546562
Molecular FormulaC25H29FN8O
Molecular Weight476.56 g/mol
Exact Mass476.24
IUPAC Name1-[6-[[2-[(3S,4R)-3-fluoro-4-hydroxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-4-propan-2-yl-2,7-naphthyridin-1-yl]azetidine-3-carbonitrile
SMILESCC(C)c1cnc(N2CC(C#N)C2)c2cnc(Nc3ccnc(N4CC[C@@H](O)[C@@](C)(F)C4)n3)cc12
InChIInChI=1S/C25H29FN8O/c1-15(2)18-10-30-23(34-12-16(9-27)13-34)19-11-29-22(8-17(18)19)31-21-4-6-28-24(32-21)33-7-5-20(35)25(3,26)14-33/h4,6,8,10-11,15-16,20,35H,5,7,12-14H2,1-3H3,(H,28,29,31,32)/t20-,25+/m1/s1
InChIKeyAOHNZGASXYBKDI-NLFFAJNJSA-N
XLogP3.55
TPSA114.09 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[6-[[2-[(3S,4R)-3-fluoro-4-hydroxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-4-propan-2-yl-2,7-naphthyridin-1-yl]azetidine-3-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 1-[6-[[2-[(3S,4R)-3-fluoro-4-hydroxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-4-propan-2-yl-2,7-naphthyridin-1-yl]azetidine-3-carbonitrile?
The IUPAC name of 1-[6-[[2-[(3S,4R)-3-fluoro-4-hydroxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-4-propan-2-yl-2,7-naphthyridin-1-yl]azetidine-3-carbonitrile (CID 166546562) is 1-[6-[[2-[(3S,4R)-3-fluoro-4-hydroxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-4-propan-2-yl-2,7-naphthyridin-1-yl]azetidine-3-carbonitrile.
What is the SMILES notation for 1-[6-[[2-[(3S,4R)-3-fluoro-4-hydroxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-4-propan-2-yl-2,7-naphthyridin-1-yl]azetidine-3-carbonitrile?
The canonical SMILES for 1-[6-[[2-[(3S,4R)-3-fluoro-4-hydroxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-4-propan-2-yl-2,7-naphthyridin-1-yl]azetidine-3-carbonitrile is CC(C)c1cnc(N2CC(C#N)C2)c2cnc(Nc3ccnc(N4CC[C@@H](O)[C@@](C)(F)C4)n3)cc12.
What is the InChIKey of 1-[6-[[2-[(3S,4R)-3-fluoro-4-hydroxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-4-propan-2-yl-2,7-naphthyridin-1-yl]azetidine-3-carbonitrile?
The InChIKey is AOHNZGASXYBKDI-NLFFAJNJSA-N. The full InChI is InChI=1S/C25H29FN8O/c1-15(2)18-10-30-23(34-12-16(9-27)13-34)19-11-29-22(8-17(18)19)31-21-4-6-28-24(32-21)33-7-5-20(35)25(3,26)14-33/h4,6,8,10-11,15-16,20,35H,5,7,12-14H2,1-3H3,(H,28,29,31,32)/t20-,25+/m1/s1.
What are the key properties of 1-[6-[[2-[(3S,4R)-3-fluoro-4-hydroxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-4-propan-2-yl-2,7-naphthyridin-1-yl]azetidine-3-carbonitrile?
1-[6-[[2-[(3S,4R)-3-fluoro-4-hydroxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-4-propan-2-yl-2,7-naphthyridin-1-yl]azetidine-3-carbonitrile has a molecular weight of 476.56 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[2-[(3S,4R)-3-fluoro-4-hydroxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-4-propan-2-yl-2,7-naphthyridin-1-yl]azetidine-3-carbonitrile is sourced from PubChem (CID 166546562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).