6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-2-[(4R)-2,2,4-trimethylcyclopentyl]pyridine-3-carboxamide

C26H36N6O4S — CID 134599506

IUPAC6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-2-[(4R)-2,2,4-trimethylcyclopentyl]pyridine-3-carboxamide
SMILESCc1[nH]ncc1S(=O)(=O)NC(=O)c1ccc(-n2ccc(OCC(C)(C)C)n2)nc1C1C[C@@H](C)CC1(C)C
InChIInChI=1S/C26H36N6O4S/c1-16-12-19(26(6,7)13-16)23-18(24(33)31-37(34,35)20-14-27-29-17(20)2)8-9-21(28-23)32-11-10-22(30-32)36-15-25(3,4)5/h8-11,14,16,19H,12-13,15H2,1-7H3,(H,27,29)(H,31,33)/t16-,19?/m1/s1
InChIKeyUJDFVRBQQIITOS-VTBWFHPJSA-N
MW528.68 g/mol
LogP4.38
Rot. Bonds7

About 6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-2-[(4R)-2,2,4-trimethylcyclopentyl]pyridine-3-carboxamide

6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-2-[(4R)-2,2,4-trimethylcyclopentyl]pyridine-3-carboxamide (PubChem CID 134599506) has the molecular formula C26H36N6O4S and a molecular weight of 528.68 g/mol. Its IUPAC name is 6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-2-[(4R)-2,2,4-trimethylcyclopentyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-2-[(4R)-2,2,4-trimethylcyclopentyl]pyridine-3-carboxamide
PubChem CID134599506
Molecular FormulaC26H36N6O4S
Molecular Weight528.68 g/mol
Exact Mass528.25
IUPAC Name6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-2-[(4R)-2,2,4-trimethylcyclopentyl]pyridine-3-carboxamide
SMILESCc1[nH]ncc1S(=O)(=O)NC(=O)c1ccc(-n2ccc(OCC(C)(C)C)n2)nc1C1C[C@@H](C)CC1(C)C
InChIInChI=1S/C26H36N6O4S/c1-16-12-19(26(6,7)13-16)23-18(24(33)31-37(34,35)20-14-27-29-17(20)2)8-9-21(28-23)32-11-10-22(30-32)36-15-25(3,4)5/h8-11,14,16,19H,12-13,15H2,1-7H3,(H,27,29)(H,31,33)/t16-,19?/m1/s1
InChIKeyUJDFVRBQQIITOS-VTBWFHPJSA-N
XLogP4.38
TPSA131.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.68
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-2-[(4R)-2,2,4-trimethylcyclopentyl]pyridine-3-carboxamide?
The IUPAC name of 6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-2-[(4R)-2,2,4-trimethylcyclopentyl]pyridine-3-carboxamide (CID 134599506) is 6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-2-[(4R)-2,2,4-trimethylcyclopentyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-2-[(4R)-2,2,4-trimethylcyclopentyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-2-[(4R)-2,2,4-trimethylcyclopentyl]pyridine-3-carboxamide is Cc1[nH]ncc1S(=O)(=O)NC(=O)c1ccc(-n2ccc(OCC(C)(C)C)n2)nc1C1C[C@@H](C)CC1(C)C.
What is the InChIKey of 6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-2-[(4R)-2,2,4-trimethylcyclopentyl]pyridine-3-carboxamide?
The InChIKey is UJDFVRBQQIITOS-VTBWFHPJSA-N. The full InChI is InChI=1S/C26H36N6O4S/c1-16-12-19(26(6,7)13-16)23-18(24(33)31-37(34,35)20-14-27-29-17(20)2)8-9-21(28-23)32-11-10-22(30-32)36-15-25(3,4)5/h8-11,14,16,19H,12-13,15H2,1-7H3,(H,27,29)(H,31,33)/t16-,19?/m1/s1.
What are the key properties of 6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-2-[(4R)-2,2,4-trimethylcyclopentyl]pyridine-3-carboxamide?
6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-2-[(4R)-2,2,4-trimethylcyclopentyl]pyridine-3-carboxamide has a molecular weight of 528.68 g/mol, XLogP of 4.38, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-2-[(4R)-2,2,4-trimethylcyclopentyl]pyridine-3-carboxamide is sourced from PubChem (CID 134599506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).