(3S)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide

C22H25FN6O — CID 95367750

IUPAC(3S)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
SMILESCc1cc(C)n(-c2cc(N3CCC[C@H](C(=O)NCc4ccccc4F)C3)ncn2)n1
InChIInChI=1S/C22H25FN6O/c1-15-10-16(2)29(27-15)21-11-20(25-14-26-21)28-9-5-7-18(13-28)22(30)24-12-17-6-3-4-8-19(17)23/h3-4,6,8,10-11,14,18H,5,7,9,12-13H2,1-2H3,(H,24,30)/t18-/m0/s1
InChIKeyPXVCIWOKVCFPAD-SFHVURJKSA-N
MW408.48 g/mol
LogP2.95
Rot. Bonds5

About (3S)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide

(3S)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide (PubChem CID 95367750) has the molecular formula C22H25FN6O and a molecular weight of 408.48 g/mol. Its IUPAC name is (3S)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
PubChem CID95367750
Molecular FormulaC22H25FN6O
Molecular Weight408.48 g/mol
Exact Mass408.21
IUPAC Name(3S)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
SMILESCc1cc(C)n(-c2cc(N3CCC[C@H](C(=O)NCc4ccccc4F)C3)ncn2)n1
InChIInChI=1S/C22H25FN6O/c1-15-10-16(2)29(27-15)21-11-20(25-14-26-21)28-9-5-7-18(13-28)22(30)24-12-17-6-3-4-8-19(17)23/h3-4,6,8,10-11,14,18H,5,7,9,12-13H2,1-2H3,(H,24,30)/t18-/m0/s1
InChIKeyPXVCIWOKVCFPAD-SFHVURJKSA-N
XLogP2.95
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide with MolForge

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Related Compounds

(3R)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 95369354
N-[(2-fluorophenyl)methyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
CID 56764965
1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide
CID 90546576
1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(3-fluorophenyl)piperidine-3-carboxamide
CID 90520791
N-cycloheptyl-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90520777
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 90514702
1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[3-(6-oxopyridazin-1-yl)propyl]piperidine-3-carboxamide
CID 90520957
(3S)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 95369349
1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(2-fluorophenyl)azetidine-3-carboxamide
CID 121168907
1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(4-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 90520908
1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(3-methoxyphenyl)piperidine-3-carboxamide
CID 90520746
methyl 4-[[1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperidine-3-carbonyl]amino]benzoate
CID 90520758

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide (CID 95367750) is (3S)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide is Cc1cc(C)n(-c2cc(N3CCC[C@H](C(=O)NCc4ccccc4F)C3)ncn2)n1.
What is the InChIKey of (3S)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide?
The InChIKey is PXVCIWOKVCFPAD-SFHVURJKSA-N. The full InChI is InChI=1S/C22H25FN6O/c1-15-10-16(2)29(27-15)21-11-20(25-14-26-21)28-9-5-7-18(13-28)22(30)24-12-17-6-3-4-8-19(17)23/h3-4,6,8,10-11,14,18H,5,7,9,12-13H2,1-2H3,(H,24,30)/t18-/m0/s1.
What are the key properties of (3S)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide?
(3S)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide has a molecular weight of 408.48 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 95367750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).