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]-N,N-dimethylazetidine-3-carboxamide

C27H35FN8O2 — CID 166547077

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]-N,N-dimethylazetidine-3-carboxamide
SMILESCC(C)c1cnc(N2CC(C(=O)N(C)C)C2)c2cnc(Nc3ccnc(N4CC[C@@H](O)[C@@](C)(F)C4)n3)cc12
InChIInChI=1S/C27H35FN8O2/c1-16(2)19-11-31-24(36-13-17(14-36)25(38)34(4)5)20-12-30-23(10-18(19)20)32-22-6-8-29-26(33-22)35-9-7-21(37)27(3,28)15-35/h6,8,10-12,16-17,21,37H,7,9,13-15H2,1-5H3,(H,29,30,32,33)/t21-,27+/m1/s1
InChIKeyKBEALQIKOQDNNI-ZBLYBZFDSA-N
MW522.63 g/mol
LogP3.11
Rot. Bonds6

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]-N,N-dimethylazetidine-3-carboxamide

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]-N,N-dimethylazetidine-3-carboxamide (PubChem CID 166547077) has the molecular formula C27H35FN8O2 and a molecular weight of 522.63 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]-N,N-dimethylazetidine-3-carboxamide.

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]-N,N-dimethylazetidine-3-carboxamide
PubChem CID166547077
Molecular FormulaC27H35FN8O2
Molecular Weight522.63 g/mol
Exact Mass522.29
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]-N,N-dimethylazetidine-3-carboxamide
SMILESCC(C)c1cnc(N2CC(C(=O)N(C)C)C2)c2cnc(Nc3ccnc(N4CC[C@@H](O)[C@@](C)(F)C4)n3)cc12
InChIInChI=1S/C27H35FN8O2/c1-16(2)19-11-31-24(36-13-17(14-36)25(38)34(4)5)20-12-30-23(10-18(19)20)32-22-6-8-29-26(33-22)35-9-7-21(37)27(3,28)15-35/h6,8,10-12,16-17,21,37H,7,9,13-15H2,1-5H3,(H,29,30,32,33)/t21-,27+/m1/s1
InChIKeyKBEALQIKOQDNNI-ZBLYBZFDSA-N
XLogP3.11
TPSA110.61 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.63
LogP ≤ 53.11
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]-N,N-dimethylazetidine-3-carboxamide with MolForge

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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]-N,N-dimethylazetidine-3-carboxamide?
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]-N,N-dimethylazetidine-3-carboxamide (CID 166547077) 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]-N,N-dimethylazetidine-3-carboxamide.
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]-N,N-dimethylazetidine-3-carboxamide?
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]-N,N-dimethylazetidine-3-carboxamide is CC(C)c1cnc(N2CC(C(=O)N(C)C)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]-N,N-dimethylazetidine-3-carboxamide?
The InChIKey is KBEALQIKOQDNNI-ZBLYBZFDSA-N. The full InChI is InChI=1S/C27H35FN8O2/c1-16(2)19-11-31-24(36-13-17(14-36)25(38)34(4)5)20-12-30-23(10-18(19)20)32-22-6-8-29-26(33-22)35-9-7-21(37)27(3,28)15-35/h6,8,10-12,16-17,21,37H,7,9,13-15H2,1-5H3,(H,29,30,32,33)/t21-,27+/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]-N,N-dimethylazetidine-3-carboxamide?
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]-N,N-dimethylazetidine-3-carboxamide has a molecular weight of 522.63 g/mol, XLogP of 3.11, 6 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]-N,N-dimethylazetidine-3-carboxamide is sourced from PubChem (CID 166547077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).