(3R)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide

C24H30N6O2 — CID 95369354

IUPAC(3R)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide
SMILESCOc1ccccc1CCNC(=O)[C@@H]1CCCN(c2cc(-n3nc(C)cc3C)ncn2)C1
InChIInChI=1S/C24H30N6O2/c1-17-13-18(2)30(28-17)23-14-22(26-16-27-23)29-12-6-8-20(15-29)24(31)25-11-10-19-7-4-5-9-21(19)32-3/h4-5,7,9,13-14,16,20H,6,8,10-12,15H2,1-3H3,(H,25,31)/t20-/m1/s1
InChIKeyGNKJSDWPUSKFOB-HXUWFJFHSA-N
MW434.54 g/mol
LogP2.86
Rot. Bonds7

About (3R)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide

(3R)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide (PubChem CID 95369354) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is (3R)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide
PubChem CID95369354
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC Name(3R)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide
SMILESCOc1ccccc1CCNC(=O)[C@@H]1CCCN(c2cc(-n3nc(C)cc3C)ncn2)C1
InChIInChI=1S/C24H30N6O2/c1-17-13-18(2)30(28-17)23-14-22(26-16-27-23)29-12-6-8-20(15-29)24(31)25-11-10-19-7-4-5-9-21(19)32-3/h4-5,7,9,13-14,16,20H,6,8,10-12,15H2,1-3H3,(H,25,31)/t20-/m1/s1
InChIKeyGNKJSDWPUSKFOB-HXUWFJFHSA-N
XLogP2.86
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3S)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 95367750
1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(3-methoxyphenyl)piperidine-3-carboxamide
CID 90520746
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-chloropyridazin-3-yl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 94161671
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-phenylethyl)piperidine-3-carboxamide
CID 90514623
methyl 4-[[1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperidine-3-carbonyl]amino]benzoate
CID 90520758
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
(3R)-N-[(2-methoxyphenyl)methyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
CID 95369281
1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(3-fluorophenyl)piperidine-3-carboxamide
CID 90520791
N-(2-benzamidoethyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide
CID 121169141
1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(4-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 90520908

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide (CID 95369354) is (3R)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide is COc1ccccc1CCNC(=O)[C@@H]1CCCN(c2cc(-n3nc(C)cc3C)ncn2)C1.
What is the InChIKey of (3R)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide?
The InChIKey is GNKJSDWPUSKFOB-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-17-13-18(2)30(28-17)23-14-22(26-16-27-23)29-12-6-8-20(15-29)24(31)25-11-10-19-7-4-5-9-21(19)32-3/h4-5,7,9,13-14,16,20H,6,8,10-12,15H2,1-3H3,(H,25,31)/t20-/m1/s1.
What are the key properties of (3R)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide?
(3R)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 95369354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).