1-cyclopentyl-N-[1-[[1-(5-methoxy-3-pyridinyl)indazol-4-yl]amino]propan-2-yl]-3,5-dimethylpyrazole-4-sulfonamide

C26H33N7O3S — CID 16665529

IUPAC1-cyclopentyl-N-[1-[[1-(5-methoxy-3-pyridinyl)indazol-4-yl]amino]propan-2-yl]-3,5-dimethylpyrazole-4-sulfonamide
SMILESCOc1cncc(-n2ncc3c(NCC(C)NS(=O)(=O)c4c(C)nn(C5CCCC5)c4C)cccc32)c1
InChIInChI=1S/C26H33N7O3S/c1-17(31-37(34,35)26-18(2)30-32(19(26)3)20-8-5-6-9-20)13-28-24-10-7-11-25-23(24)16-29-33(25)21-12-22(36-4)15-27-14-21/h7,10-12,14-17,20,28,31H,5-6,8-9,13H2,1-4H3
InChIKeyFIEPPMTUZXIMBS-UHFFFAOYSA-N
MW523.66 g/mol
LogP4.14
Rot. Bonds9

About 1-cyclopentyl-N-[1-[[1-(5-methoxy-3-pyridinyl)indazol-4-yl]amino]propan-2-yl]-3,5-dimethylpyrazole-4-sulfonamide

1-cyclopentyl-N-[1-[[1-(5-methoxy-3-pyridinyl)indazol-4-yl]amino]propan-2-yl]-3,5-dimethylpyrazole-4-sulfonamide (PubChem CID 16665529) has the molecular formula C26H33N7O3S and a molecular weight of 523.66 g/mol. Its IUPAC name is 1-cyclopentyl-N-[1-[[1-(5-methoxy-3-pyridinyl)indazol-4-yl]amino]propan-2-yl]-3,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[1-[[1-(5-methoxy-3-pyridinyl)indazol-4-yl]amino]propan-2-yl]-3,5-dimethylpyrazole-4-sulfonamide
PubChem CID16665529
Molecular FormulaC26H33N7O3S
Molecular Weight523.66 g/mol
Exact Mass523.24
IUPAC Name1-cyclopentyl-N-[1-[[1-(5-methoxy-3-pyridinyl)indazol-4-yl]amino]propan-2-yl]-3,5-dimethylpyrazole-4-sulfonamide
SMILESCOc1cncc(-n2ncc3c(NCC(C)NS(=O)(=O)c4c(C)nn(C5CCCC5)c4C)cccc32)c1
InChIInChI=1S/C26H33N7O3S/c1-17(31-37(34,35)26-18(2)30-32(19(26)3)20-8-5-6-9-20)13-28-24-10-7-11-25-23(24)16-29-33(25)21-12-22(36-4)15-27-14-21/h7,10-12,14-17,20,28,31H,5-6,8-9,13H2,1-4H3
InChIKeyFIEPPMTUZXIMBS-UHFFFAOYSA-N
XLogP4.14
TPSA115.96 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.66
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[1-[[1-(5-methoxy-3-pyridinyl)indazol-4-yl]amino]propan-2-yl]-3,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 1-cyclopentyl-N-[1-[[1-(5-methoxy-3-pyridinyl)indazol-4-yl]amino]propan-2-yl]-3,5-dimethylpyrazole-4-sulfonamide (CID 16665529) is 1-cyclopentyl-N-[1-[[1-(5-methoxy-3-pyridinyl)indazol-4-yl]amino]propan-2-yl]-3,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-cyclopentyl-N-[1-[[1-(5-methoxy-3-pyridinyl)indazol-4-yl]amino]propan-2-yl]-3,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 1-cyclopentyl-N-[1-[[1-(5-methoxy-3-pyridinyl)indazol-4-yl]amino]propan-2-yl]-3,5-dimethylpyrazole-4-sulfonamide is COc1cncc(-n2ncc3c(NCC(C)NS(=O)(=O)c4c(C)nn(C5CCCC5)c4C)cccc32)c1.
What is the InChIKey of 1-cyclopentyl-N-[1-[[1-(5-methoxy-3-pyridinyl)indazol-4-yl]amino]propan-2-yl]-3,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is FIEPPMTUZXIMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N7O3S/c1-17(31-37(34,35)26-18(2)30-32(19(26)3)20-8-5-6-9-20)13-28-24-10-7-11-25-23(24)16-29-33(25)21-12-22(36-4)15-27-14-21/h7,10-12,14-17,20,28,31H,5-6,8-9,13H2,1-4H3.
What are the key properties of 1-cyclopentyl-N-[1-[[1-(5-methoxy-3-pyridinyl)indazol-4-yl]amino]propan-2-yl]-3,5-dimethylpyrazole-4-sulfonamide?
1-cyclopentyl-N-[1-[[1-(5-methoxy-3-pyridinyl)indazol-4-yl]amino]propan-2-yl]-3,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 523.66 g/mol, XLogP of 4.14, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[1-[[1-(5-methoxy-3-pyridinyl)indazol-4-yl]amino]propan-2-yl]-3,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 16665529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).