(1,3-dimethylpyrazol-4-yl)-[(3R)-3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]methanone

C21H26N6O — CID 95813935

IUPAC(1,3-dimethylpyrazol-4-yl)-[(3R)-3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]methanone
SMILESCc1cc(-c2cnn(C)c2)cc([C@@H]2CCCN(C(=O)c3cn(C)nc3C)C2)n1
InChIInChI=1S/C21H26N6O/c1-14-8-17(18-10-22-25(3)11-18)9-20(23-14)16-6-5-7-27(12-16)21(28)19-13-26(4)24-15(19)2/h8-11,13,16H,5-7,12H2,1-4H3/t16-/m1/s1
InChIKeyMOGYTGCDUQYTMY-MRXNPFEDSA-N
MW378.48 g/mol
LogP2.85
Rot. Bonds3

About (1,3-dimethylpyrazol-4-yl)-[(3R)-3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]methanone

(1,3-dimethylpyrazol-4-yl)-[(3R)-3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]methanone (PubChem CID 95813935) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is (1,3-dimethylpyrazol-4-yl)-[(3R)-3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1,3-dimethylpyrazol-4-yl)-[(3R)-3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]methanone
PubChem CID95813935
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name(1,3-dimethylpyrazol-4-yl)-[(3R)-3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]methanone
SMILESCc1cc(-c2cnn(C)c2)cc([C@@H]2CCCN(C(=O)c3cn(C)nc3C)C2)n1
InChIInChI=1S/C21H26N6O/c1-14-8-17(18-10-22-25(3)11-18)9-20(23-14)16-6-5-7-27(12-16)21(28)19-13-26(4)24-15(19)2/h8-11,13,16H,5-7,12H2,1-4H3/t16-/m1/s1
InChIKeyMOGYTGCDUQYTMY-MRXNPFEDSA-N
XLogP2.85
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1,3-dimethylpyrazol-4-yl)-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
CID 95845498
1-[(3S)-3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 95813929
(1,3-dimethylpyrazol-4-yl)-[3-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
CID 110252635
[3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 110264830
(5-methyl-1H-indazol-3-yl)-[(3R)-3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 95834667
(1,3-dimethylpyrazol-4-yl)-[3-(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]methanone
CID 110235100
6-[1-(1,3-dimethylpyrazole-4-carbonyl)piperidin-3-yl]-N,N-dimethylpyridine-3-carboxamide
CID 110264214
butyl 3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]azetidine-1-carboxylate
CID 175790335
[3-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 110091836
[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-[1-ethyl-3-(1-methylpyrazol-4-yl)pyrazol-4-yl]methanone
CID 126804476
1-[3-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]propan-1-one
CID 110252451
[(3S)-3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone
CID 92564083

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylpyrazol-4-yl)-[(3R)-3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]methanone?
The IUPAC name of (1,3-dimethylpyrazol-4-yl)-[(3R)-3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]methanone (CID 95813935) is (1,3-dimethylpyrazol-4-yl)-[(3R)-3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]methanone.
What is the SMILES notation for (1,3-dimethylpyrazol-4-yl)-[(3R)-3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]methanone?
The canonical SMILES for (1,3-dimethylpyrazol-4-yl)-[(3R)-3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]methanone is Cc1cc(-c2cnn(C)c2)cc([C@@H]2CCCN(C(=O)c3cn(C)nc3C)C2)n1.
What is the InChIKey of (1,3-dimethylpyrazol-4-yl)-[(3R)-3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]methanone?
The InChIKey is MOGYTGCDUQYTMY-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H26N6O/c1-14-8-17(18-10-22-25(3)11-18)9-20(23-14)16-6-5-7-27(12-16)21(28)19-13-26(4)24-15(19)2/h8-11,13,16H,5-7,12H2,1-4H3/t16-/m1/s1.
What are the key properties of (1,3-dimethylpyrazol-4-yl)-[(3R)-3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]methanone?
(1,3-dimethylpyrazol-4-yl)-[(3R)-3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]methanone has a molecular weight of 378.48 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylpyrazol-4-yl)-[(3R)-3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]methanone is sourced from PubChem (CID 95813935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).