1-[6-[[2-[(4S)-3,3-difluoro-4-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-4-propan-2-yl-2,7-naphthyridin-1-yl]azetidin-3-ol

C24H29F2N7O — CID 167277205

IUPAC1-[6-[[2-[(4S)-3,3-difluoro-4-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-4-propan-2-yl-2,7-naphthyridin-1-yl]azetidin-3-ol
SMILESCC(C)c1cnc(N2CC(O)C2)c2cnc(Nc3ccnc(N4CC[C@H](C)C(F)(F)C4)n3)cc12
InChIInChI=1S/C24H29F2N7O/c1-14(2)18-9-29-22(33-11-16(34)12-33)19-10-28-21(8-17(18)19)30-20-4-6-27-23(31-20)32-7-5-15(3)24(25,26)13-32/h4,6,8-10,14-16,34H,5,7,11-13H2,1-3H3,(H,27,28,30,31)/t15-/m0/s1
InChIKeyHZCXSQQFYSPHGF-HNNXBMFYSA-N
MW469.54 g/mol
LogP3.95
Rot. Bonds5

About 1-[6-[[2-[(4S)-3,3-difluoro-4-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-4-propan-2-yl-2,7-naphthyridin-1-yl]azetidin-3-ol

1-[6-[[2-[(4S)-3,3-difluoro-4-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-4-propan-2-yl-2,7-naphthyridin-1-yl]azetidin-3-ol (PubChem CID 167277205) has the molecular formula C24H29F2N7O and a molecular weight of 469.54 g/mol. Its IUPAC name is 1-[6-[[2-[(4S)-3,3-difluoro-4-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-4-propan-2-yl-2,7-naphthyridin-1-yl]azetidin-3-ol.

Molecular Properties

Compound Name1-[6-[[2-[(4S)-3,3-difluoro-4-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-4-propan-2-yl-2,7-naphthyridin-1-yl]azetidin-3-ol
PubChem CID167277205
Molecular FormulaC24H29F2N7O
Molecular Weight469.54 g/mol
Exact Mass469.24
IUPAC Name1-[6-[[2-[(4S)-3,3-difluoro-4-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-4-propan-2-yl-2,7-naphthyridin-1-yl]azetidin-3-ol
SMILESCC(C)c1cnc(N2CC(O)C2)c2cnc(Nc3ccnc(N4CC[C@H](C)C(F)(F)C4)n3)cc12
InChIInChI=1S/C24H29F2N7O/c1-14(2)18-9-29-22(33-11-16(34)12-33)19-10-28-21(8-17(18)19)30-20-4-6-27-23(31-20)32-7-5-15(3)24(25,26)13-32/h4,6,8-10,14-16,34H,5,7,11-13H2,1-3H3,(H,27,28,30,31)/t15-/m0/s1
InChIKeyHZCXSQQFYSPHGF-HNNXBMFYSA-N
XLogP3.95
TPSA90.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[6-[[2-[(4S)-3,3-difluoro-4-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-4-propan-2-yl-2,7-naphthyridin-1-yl]azetidin-3-ol with MolForge

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Related Compounds

1-[4-[[8-(3-hydroxyazetidin-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]-3,3-dimethylpiperidin-4-ol
CID 166547192
N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-8-(3-methylazetidin-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-amine
CID 156550602
2-[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]azetidin-3-yl]acetonitrile
CID 175860103
methanethiol;N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-8-(3-methylazetidin-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-amine
CID 156802118
(3S,4R)-1-[4-[[8-[3-(ethylsulfonylmethyl)azetidin-1-yl]-5-propan-2-yl-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]-3-fluoro-3-methylpiperidin-4-ol
CID 156550504
(8R)-5-[4-[[8-[(2R,3S)-3-hydroxy-2-methylazetidin-1-yl]-5-propan-2-yl-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]-5-azaspiro[2.5]octan-8-ol
CID 166546780
(3R,4S)-3-fluoro-1-[4-[[8-[(2R)-2-methylazetidin-1-yl]-5-propan-2-yl-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]piperidin-4-ol
CID 166546956
1-[4-[[8-[(2R,3S)-3-hydroxy-2-methylazetidin-1-yl]-5-propan-2-yl-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]-4-methylpiperidin-4-ol
CID 167276876
8-(3-ethylazetidin-1-yl)-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-5-propan-2-yl-2,7-naphthyridin-3-amine;molecular hydrogen
CID 156802140
2-[1-[4-[[8-(1,6-diazaspiro[3.3]heptan-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]-3,3-difluoropiperidin-4-yl]ethanol
CID 166546782
CID 166549840
CID 166549840
3-fluoro-1-[4-[[8-(methylamino)-5-propan-2-yl-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]piperidin-4-ol
CID 175575140

Frequently Asked Questions

What is the IUPAC name of 1-[6-[[2-[(4S)-3,3-difluoro-4-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-4-propan-2-yl-2,7-naphthyridin-1-yl]azetidin-3-ol?
The IUPAC name of 1-[6-[[2-[(4S)-3,3-difluoro-4-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-4-propan-2-yl-2,7-naphthyridin-1-yl]azetidin-3-ol (CID 167277205) is 1-[6-[[2-[(4S)-3,3-difluoro-4-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-4-propan-2-yl-2,7-naphthyridin-1-yl]azetidin-3-ol.
What is the SMILES notation for 1-[6-[[2-[(4S)-3,3-difluoro-4-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-4-propan-2-yl-2,7-naphthyridin-1-yl]azetidin-3-ol?
The canonical SMILES for 1-[6-[[2-[(4S)-3,3-difluoro-4-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-4-propan-2-yl-2,7-naphthyridin-1-yl]azetidin-3-ol is CC(C)c1cnc(N2CC(O)C2)c2cnc(Nc3ccnc(N4CC[C@H](C)C(F)(F)C4)n3)cc12.
What is the InChIKey of 1-[6-[[2-[(4S)-3,3-difluoro-4-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-4-propan-2-yl-2,7-naphthyridin-1-yl]azetidin-3-ol?
The InChIKey is HZCXSQQFYSPHGF-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H29F2N7O/c1-14(2)18-9-29-22(33-11-16(34)12-33)19-10-28-21(8-17(18)19)30-20-4-6-27-23(31-20)32-7-5-15(3)24(25,26)13-32/h4,6,8-10,14-16,34H,5,7,11-13H2,1-3H3,(H,27,28,30,31)/t15-/m0/s1.
What are the key properties of 1-[6-[[2-[(4S)-3,3-difluoro-4-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-4-propan-2-yl-2,7-naphthyridin-1-yl]azetidin-3-ol?
1-[6-[[2-[(4S)-3,3-difluoro-4-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-4-propan-2-yl-2,7-naphthyridin-1-yl]azetidin-3-ol has a molecular weight of 469.54 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[2-[(4S)-3,3-difluoro-4-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-4-propan-2-yl-2,7-naphthyridin-1-yl]azetidin-3-ol is sourced from PubChem (CID 167277205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).