1-[4-[[5-fluoro-4-[3-(2-oxo-1-pyridinyl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]piperidine-4-carboxamide

C27H31FN6O2 — CID 172592698

IUPAC1-[4-[[5-fluoro-4-[3-(2-oxo-1-pyridinyl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C2CCC(Nc3ncc(F)c(-c4cccc(-n5ccccc5=O)c4)n3)CC2)CC1
InChIInChI=1S/C27H31FN6O2/c28-23-17-30-27(31-20-7-9-21(10-8-20)33-14-11-18(12-15-33)26(29)36)32-25(23)19-4-3-5-22(16-19)34-13-2-1-6-24(34)35/h1-6,13,16-18,20-21H,7-12,14-15H2,(H2,29,36)(H,30,31,32)
InChIKeyOKSZZWWQUJOXJK-UHFFFAOYSA-N
MW490.58 g/mol
LogP3.35
Rot. Bonds6

About 1-[4-[[5-fluoro-4-[3-(2-oxo-1-pyridinyl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]piperidine-4-carboxamide

1-[4-[[5-fluoro-4-[3-(2-oxo-1-pyridinyl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]piperidine-4-carboxamide (PubChem CID 172592698) has the molecular formula C27H31FN6O2 and a molecular weight of 490.58 g/mol. Its IUPAC name is 1-[4-[[5-fluoro-4-[3-(2-oxo-1-pyridinyl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-[[5-fluoro-4-[3-(2-oxo-1-pyridinyl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]piperidine-4-carboxamide
PubChem CID172592698
Molecular FormulaC27H31FN6O2
Molecular Weight490.58 g/mol
Exact Mass490.25
IUPAC Name1-[4-[[5-fluoro-4-[3-(2-oxo-1-pyridinyl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C2CCC(Nc3ncc(F)c(-c4cccc(-n5ccccc5=O)c4)n3)CC2)CC1
InChIInChI=1S/C27H31FN6O2/c28-23-17-30-27(31-20-7-9-21(10-8-20)33-14-11-18(12-15-33)26(29)36)32-25(23)19-4-3-5-22(16-19)34-13-2-1-6-24(34)35/h1-6,13,16-18,20-21H,7-12,14-15H2,(H2,29,36)(H,30,31,32)
InChIKeyOKSZZWWQUJOXJK-UHFFFAOYSA-N
XLogP3.35
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.58
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[4-[[5-fluoro-4-[3-(2-oxo-1-pyridinyl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]piperidine-4-carboxamide with MolForge

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Related Compounds

3-[[5-fluoro-4-[3-(2-oxo-1-pyridinyl)phenyl]pyrimidin-2-yl]amino]cyclobutane-1-carboxylic acid
CID 172590805
4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]-N-[4-[[5-fluoro-4-[3-(2-oxo-1-pyridinyl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]cyclohexane-1-carboxamide
CID 172591814
1-[1-[2-fluoro-4-[(2-hydroxy-6-oxopiperidin-3-yl)amino]phenyl]piperidin-4-yl]-N-[4-[[5-fluoro-4-[3-(2-oxo-1-pyridinyl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]piperidine-4-carboxamide
CID 172592510
1-[3-[2-[(4-aminocyclohexyl)amino]-5-chloropyrimidin-4-yl]phenyl]pyridin-2-one
CID 172591905
4-[[5-fluoro-4-[2-(2-oxo-1-pyridinyl)-4-pyridinyl]pyrimidin-2-yl]amino]cyclohexane-1-carboxylic acid
CID 172591860
tert-butyl 2-[4-[[5-fluoro-4-[3-(2-oxo-1-pyridinyl)phenyl]pyrimidin-2-yl]amino]-2-oxopiperidin-1-yl]acetate
CID 172590921
cis-(1R,3S)-3-[[5-fluoro-4-[3-(3-oxomorpholin-4-yl)phenyl]pyrimidin-2-yl]amino]cyclohexane-1-carboxamide
CID 172591784
1-[3-[2-(cyclohexylamino)-5-fluoropyrimidin-4-yl]phenyl]pyridin-2-one;1-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-4-yl]-4-hydroxypiperidine-4-carboxamide
CID 172592115
4-[[4-[4-[4-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-2-fluorophenyl]piperazin-1-yl]cyclohexyl]-[5-fluoro-4-[3-(2-oxo-1-pyridinyl)phenyl]pyrimidin-2-yl]amino]cyclohexane-1-carboxamide
CID 172590916
4-[[5-fluoro-4-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrimidin-2-yl]amino]cyclohexane-1-carboxylic acid
CID 172592733
cis-methyl (1S,3R)-3-[[5-chloro-4-[3-(2-oxo-1-pyridinyl)phenyl]pyrimidin-2-yl]amino]cyclohexane-1-carboxylate
CID 172590226
methyl 4-[[5-fluoro-4-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrimidin-2-yl]amino]cyclohexane-1-carboxylate
CID 172591406

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[5-fluoro-4-[3-(2-oxo-1-pyridinyl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-[[5-fluoro-4-[3-(2-oxo-1-pyridinyl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]piperidine-4-carboxamide (CID 172592698) is 1-[4-[[5-fluoro-4-[3-(2-oxo-1-pyridinyl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-[[5-fluoro-4-[3-(2-oxo-1-pyridinyl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-[[5-fluoro-4-[3-(2-oxo-1-pyridinyl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]piperidine-4-carboxamide is NC(=O)C1CCN(C2CCC(Nc3ncc(F)c(-c4cccc(-n5ccccc5=O)c4)n3)CC2)CC1.
What is the InChIKey of 1-[4-[[5-fluoro-4-[3-(2-oxo-1-pyridinyl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]piperidine-4-carboxamide?
The InChIKey is OKSZZWWQUJOXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN6O2/c28-23-17-30-27(31-20-7-9-21(10-8-20)33-14-11-18(12-15-33)26(29)36)32-25(23)19-4-3-5-22(16-19)34-13-2-1-6-24(34)35/h1-6,13,16-18,20-21H,7-12,14-15H2,(H2,29,36)(H,30,31,32).
What are the key properties of 1-[4-[[5-fluoro-4-[3-(2-oxo-1-pyridinyl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]piperidine-4-carboxamide?
1-[4-[[5-fluoro-4-[3-(2-oxo-1-pyridinyl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]piperidine-4-carboxamide has a molecular weight of 490.58 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[5-fluoro-4-[3-(2-oxo-1-pyridinyl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]piperidine-4-carboxamide is sourced from PubChem (CID 172592698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).