1-methyl-4-[4-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]-N-methylsulfonylpyrazole-5-carboxamide

C24H28N6O4S — CID 86279302

IUPAC1-methyl-4-[4-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]-N-methylsulfonylpyrazole-5-carboxamide
SMILESCc1cccnc1N(C(=O)c1ccc(-c2cnn(C)c2C(=O)NS(C)(=O)=O)cc1)[C@@H]1CCCNC1
InChIInChI=1S/C24H28N6O4S/c1-16-6-4-13-26-22(16)30(19-7-5-12-25-14-19)24(32)18-10-8-17(9-11-18)20-15-27-29(2)21(20)23(31)28-35(3,33)34/h4,6,8-11,13,15,19,25H,5,7,12,14H2,1-3H3,(H,28,31)/t19-/m1/s1
InChIKeyRCMNALMLOHIWSI-LJQANCHMSA-N
MW496.59 g/mol
LogP1.88
Rot. Bonds6

About 1-methyl-4-[4-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]-N-methylsulfonylpyrazole-5-carboxamide

1-methyl-4-[4-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]-N-methylsulfonylpyrazole-5-carboxamide (PubChem CID 86279302) has the molecular formula C24H28N6O4S and a molecular weight of 496.59 g/mol. Its IUPAC name is 1-methyl-4-[4-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]-N-methylsulfonylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-4-[4-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]-N-methylsulfonylpyrazole-5-carboxamide
PubChem CID86279302
Molecular FormulaC24H28N6O4S
Molecular Weight496.59 g/mol
Exact Mass496.19
IUPAC Name1-methyl-4-[4-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]-N-methylsulfonylpyrazole-5-carboxamide
SMILESCc1cccnc1N(C(=O)c1ccc(-c2cnn(C)c2C(=O)NS(C)(=O)=O)cc1)[C@@H]1CCCNC1
InChIInChI=1S/C24H28N6O4S/c1-16-6-4-13-26-22(16)30(19-7-5-12-25-14-19)24(32)18-10-8-17(9-11-18)20-15-27-29(2)21(20)23(31)28-35(3,33)34/h4,6,8-11,13,15,19,25H,5,7,12,14H2,1-3H3,(H,28,31)/t19-/m1/s1
InChIKeyRCMNALMLOHIWSI-LJQANCHMSA-N
XLogP1.88
TPSA126.29 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.59
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]-N-methylsulfonylpyrazole-5-carboxamide?
The IUPAC name of 1-methyl-4-[4-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]-N-methylsulfonylpyrazole-5-carboxamide (CID 86279302) is 1-methyl-4-[4-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]-N-methylsulfonylpyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-4-[4-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]-N-methylsulfonylpyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-4-[4-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]-N-methylsulfonylpyrazole-5-carboxamide is Cc1cccnc1N(C(=O)c1ccc(-c2cnn(C)c2C(=O)NS(C)(=O)=O)cc1)[C@@H]1CCCNC1.
What is the InChIKey of 1-methyl-4-[4-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]-N-methylsulfonylpyrazole-5-carboxamide?
The InChIKey is RCMNALMLOHIWSI-LJQANCHMSA-N. The full InChI is InChI=1S/C24H28N6O4S/c1-16-6-4-13-26-22(16)30(19-7-5-12-25-14-19)24(32)18-10-8-17(9-11-18)20-15-27-29(2)21(20)23(31)28-35(3,33)34/h4,6,8-11,13,15,19,25H,5,7,12,14H2,1-3H3,(H,28,31)/t19-/m1/s1.
What are the key properties of 1-methyl-4-[4-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]-N-methylsulfonylpyrazole-5-carboxamide?
1-methyl-4-[4-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]-N-methylsulfonylpyrazole-5-carboxamide has a molecular weight of 496.59 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]-N-methylsulfonylpyrazole-5-carboxamide is sourced from PubChem (CID 86279302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).