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-methylazetidine-3-carboxamide

C26H33FN8O2 — CID 166547139

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-methylazetidine-3-carboxamide
SMILESCNC(=O)C1CN(c2ncc(C(C)C)c3cc(Nc4ccnc(N5CC[C@@H](O)[C@@](C)(F)C5)n4)ncc23)C1
InChIInChI=1S/C26H33FN8O2/c1-15(2)18-10-31-23(35-12-16(13-35)24(37)28-4)19-11-30-22(9-17(18)19)32-21-5-7-29-25(33-21)34-8-6-20(36)26(3,27)14-34/h5,7,9-11,15-16,20,36H,6,8,12-14H2,1-4H3,(H,28,37)(H,29,30,32,33)/t20-,26+/m1/s1
InChIKeyURIYZCBXTNEXJL-IBVKSMDESA-N
MW508.60 g/mol
LogP2.77
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-methylazetidine-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-methylazetidine-3-carboxamide (PubChem CID 166547139) has the molecular formula C26H33FN8O2 and a molecular weight of 508.60 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-methylazetidine-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-methylazetidine-3-carboxamide
PubChem CID166547139
Molecular FormulaC26H33FN8O2
Molecular Weight508.60 g/mol
Exact Mass508.27
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-methylazetidine-3-carboxamide
SMILESCNC(=O)C1CN(c2ncc(C(C)C)c3cc(Nc4ccnc(N5CC[C@@H](O)[C@@](C)(F)C5)n4)ncc23)C1
InChIInChI=1S/C26H33FN8O2/c1-15(2)18-10-31-23(35-12-16(13-35)24(37)28-4)19-11-30-22(9-17(18)19)32-21-5-7-29-25(33-21)34-8-6-20(36)26(3,27)14-34/h5,7,9-11,15-16,20,36H,6,8,12-14H2,1-4H3,(H,28,37)(H,29,30,32,33)/t20-,26+/m1/s1
InChIKeyURIYZCBXTNEXJL-IBVKSMDESA-N
XLogP2.77
TPSA119.40 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.60
LogP ≤ 52.77
H-Bond Donors ≤ 53
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-methylazetidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(3S,4R)-3-fluoro-1-(4-{[8-{3-[(methanesulfonyl)methyl]azetidin-1-yl}-5-(propan-2-yl)-2,7-naphthyridin-3-yl]amino}pyrimidin-2-yl)-3-methylpiperidin-4-ol
CID 156550550
(3S,4R)-3-fluoro-3-methyl-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 166546917
(3S,4R)-3-fluoro-1-[4-[[8-[(2R,3S)-3-hydroxy-2-methylazetidin-1-yl]-5-propan-2-yl-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]-3-methylpiperidin-4-ol
CID 166547041
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
(3S,4R)-3-fluoro-3-methyl-1-[4-[[8-[(2R,3S)-2-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]-5-propan-2-yl-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]piperidin-4-ol
CID 168290223
{1-[3-(2-Cyclohexylaminopyridin-4-yl)[2,6]naphthyridin-1-yl]piperidin-4-yl}-(4-hydroxypiperidin-1-yl)methanone
CID 46900385
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
(3S,4R)-3-fluoro-3-methyl-1-[4-[[8-[(2R)-2-methylazetidin-1-yl]-5-propan-2-yl-2,6-naphthyridin-3-yl]amino]pyrimidin-2-yl]piperidin-4-ol
CID 166546869
(3S,4R)-3-fluoro-3-methyl-1-[4-[(5-propan-2-yl-8-pyrrolidin-1-yl-2,7-naphthyridin-3-yl)amino]pyrimidin-2-yl]piperidin-4-ol
CID 166546919
(3S,4R)-3-fluoro-1-[4-[[8-(3-hydroxyazetidin-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]-3-methylpiperidin-4-ol
CID 166547014
(3S,4R)-3-fluoro-3-methyl-1-[4-[[8-[(2S)-2-methylazetidin-1-yl]-5-propan-2-yl-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]piperidin-4-ol
CID 166547027
(3S,4R)-3-fluoro-3-methyl-1-[4-[[4-[(2R)-2-methylazetidin-1-yl]-1-propan-2-ylpyrido[3,4-d]pyridazin-7-yl]amino]pyrimidin-2-yl]piperidin-4-ol
CID 166547120

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-methylazetidine-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-methylazetidine-3-carboxamide (CID 166547139) 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-methylazetidine-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-methylazetidine-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-methylazetidine-3-carboxamide is CNC(=O)C1CN(c2ncc(C(C)C)c3cc(Nc4ccnc(N5CC[C@@H](O)[C@@](C)(F)C5)n4)ncc23)C1.
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-methylazetidine-3-carboxamide?
The InChIKey is URIYZCBXTNEXJL-IBVKSMDESA-N. The full InChI is InChI=1S/C26H33FN8O2/c1-15(2)18-10-31-23(35-12-16(13-35)24(37)28-4)19-11-30-22(9-17(18)19)32-21-5-7-29-25(33-21)34-8-6-20(36)26(3,27)14-34/h5,7,9-11,15-16,20,36H,6,8,12-14H2,1-4H3,(H,28,37)(H,29,30,32,33)/t20-,26+/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-methylazetidine-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-methylazetidine-3-carboxamide has a molecular weight of 508.60 g/mol, XLogP of 2.77, 6 rotatable bonds, 3 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-methylazetidine-3-carboxamide is sourced from PubChem (CID 166547139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).