1-cyclopentyl-3,5-dimethyl-N-[(2S)-1-[(1-pyrimidin-5-ylindazol-4-yl)amino]propan-2-yl]pyrazole-4-sulfonamide

C24H30N8O2S — CID 16665453

IUPAC1-cyclopentyl-3,5-dimethyl-N-[(2S)-1-[(1-pyrimidin-5-ylindazol-4-yl)amino]propan-2-yl]pyrazole-4-sulfonamide
SMILESCc1nn(C2CCCC2)c(C)c1S(=O)(=O)N[C@@H](C)CNc1cccc2c1cnn2-c1cncnc1
InChIInChI=1S/C24H30N8O2S/c1-16(30-35(33,34)24-17(2)29-31(18(24)3)19-7-4-5-8-19)11-27-22-9-6-10-23-21(22)14-28-32(23)20-12-25-15-26-13-20/h6,9-10,12-16,19,27,30H,4-5,7-8,11H2,1-3H3/t16-/m0/s1
InChIKeyOFWZQRCONYLMBB-INIZCTEOSA-N
MW494.63 g/mol
LogP3.52
Rot. Bonds8

About 1-cyclopentyl-3,5-dimethyl-N-[(2S)-1-[(1-pyrimidin-5-ylindazol-4-yl)amino]propan-2-yl]pyrazole-4-sulfonamide

1-cyclopentyl-3,5-dimethyl-N-[(2S)-1-[(1-pyrimidin-5-ylindazol-4-yl)amino]propan-2-yl]pyrazole-4-sulfonamide (PubChem CID 16665453) has the molecular formula C24H30N8O2S and a molecular weight of 494.63 g/mol. Its IUPAC name is 1-cyclopentyl-3,5-dimethyl-N-[(2S)-1-[(1-pyrimidin-5-ylindazol-4-yl)amino]propan-2-yl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-cyclopentyl-3,5-dimethyl-N-[(2S)-1-[(1-pyrimidin-5-ylindazol-4-yl)amino]propan-2-yl]pyrazole-4-sulfonamide
PubChem CID16665453
Molecular FormulaC24H30N8O2S
Molecular Weight494.63 g/mol
Exact Mass494.22
IUPAC Name1-cyclopentyl-3,5-dimethyl-N-[(2S)-1-[(1-pyrimidin-5-ylindazol-4-yl)amino]propan-2-yl]pyrazole-4-sulfonamide
SMILESCc1nn(C2CCCC2)c(C)c1S(=O)(=O)N[C@@H](C)CNc1cccc2c1cnn2-c1cncnc1
InChIInChI=1S/C24H30N8O2S/c1-16(30-35(33,34)24-17(2)29-31(18(24)3)19-7-4-5-8-19)11-27-22-9-6-10-23-21(22)14-28-32(23)20-12-25-15-26-13-20/h6,9-10,12-16,19,27,30H,4-5,7-8,11H2,1-3H3/t16-/m0/s1
InChIKeyOFWZQRCONYLMBB-INIZCTEOSA-N
XLogP3.52
TPSA119.62 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.63
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3,5-dimethyl-N-[(2S)-1-[(1-pyrimidin-5-ylindazol-4-yl)amino]propan-2-yl]pyrazole-4-sulfonamide?
The IUPAC name of 1-cyclopentyl-3,5-dimethyl-N-[(2S)-1-[(1-pyrimidin-5-ylindazol-4-yl)amino]propan-2-yl]pyrazole-4-sulfonamide (CID 16665453) is 1-cyclopentyl-3,5-dimethyl-N-[(2S)-1-[(1-pyrimidin-5-ylindazol-4-yl)amino]propan-2-yl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-cyclopentyl-3,5-dimethyl-N-[(2S)-1-[(1-pyrimidin-5-ylindazol-4-yl)amino]propan-2-yl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-cyclopentyl-3,5-dimethyl-N-[(2S)-1-[(1-pyrimidin-5-ylindazol-4-yl)amino]propan-2-yl]pyrazole-4-sulfonamide is Cc1nn(C2CCCC2)c(C)c1S(=O)(=O)N[C@@H](C)CNc1cccc2c1cnn2-c1cncnc1.
What is the InChIKey of 1-cyclopentyl-3,5-dimethyl-N-[(2S)-1-[(1-pyrimidin-5-ylindazol-4-yl)amino]propan-2-yl]pyrazole-4-sulfonamide?
The InChIKey is OFWZQRCONYLMBB-INIZCTEOSA-N. The full InChI is InChI=1S/C24H30N8O2S/c1-16(30-35(33,34)24-17(2)29-31(18(24)3)19-7-4-5-8-19)11-27-22-9-6-10-23-21(22)14-28-32(23)20-12-25-15-26-13-20/h6,9-10,12-16,19,27,30H,4-5,7-8,11H2,1-3H3/t16-/m0/s1.
What are the key properties of 1-cyclopentyl-3,5-dimethyl-N-[(2S)-1-[(1-pyrimidin-5-ylindazol-4-yl)amino]propan-2-yl]pyrazole-4-sulfonamide?
1-cyclopentyl-3,5-dimethyl-N-[(2S)-1-[(1-pyrimidin-5-ylindazol-4-yl)amino]propan-2-yl]pyrazole-4-sulfonamide has a molecular weight of 494.63 g/mol, XLogP of 3.52, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3,5-dimethyl-N-[(2S)-1-[(1-pyrimidin-5-ylindazol-4-yl)amino]propan-2-yl]pyrazole-4-sulfonamide is sourced from PubChem (CID 16665453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).