5-[(3R)-4-[1-(cyclopropylmethyl)pyrazol-4-yl]sulfonyl-3-methylpiperazin-1-yl]-1-(4-fluorophenyl)indazole

C25H27FN6O2S — CID 163865683

IUPAC5-[(3R)-4-[1-(cyclopropylmethyl)pyrazol-4-yl]sulfonyl-3-methylpiperazin-1-yl]-1-(4-fluorophenyl)indazole
SMILESC[C@@H]1CN(c2ccc3c(cnn3-c3ccc(F)cc3)c2)CCN1S(=O)(=O)c1cnn(CC2CC2)c1
InChIInChI=1S/C25H27FN6O2S/c1-18-15-29(10-11-31(18)35(33,34)24-14-27-30(17-24)16-19-2-3-19)23-8-9-25-20(12-23)13-28-32(25)22-6-4-21(26)5-7-22/h4-9,12-14,17-19H,2-3,10-11,15-16H2,1H3/t18-/m1/s1
InChIKeyPGKDCECHYWFFFT-GOSISDBHSA-N
MW494.60 g/mol
LogP3.67
Rot. Bonds6

About 5-[(3R)-4-[1-(cyclopropylmethyl)pyrazol-4-yl]sulfonyl-3-methylpiperazin-1-yl]-1-(4-fluorophenyl)indazole

5-[(3R)-4-[1-(cyclopropylmethyl)pyrazol-4-yl]sulfonyl-3-methylpiperazin-1-yl]-1-(4-fluorophenyl)indazole (PubChem CID 163865683) has the molecular formula C25H27FN6O2S and a molecular weight of 494.60 g/mol. Its IUPAC name is 5-[(3R)-4-[1-(cyclopropylmethyl)pyrazol-4-yl]sulfonyl-3-methylpiperazin-1-yl]-1-(4-fluorophenyl)indazole.

Molecular Properties

Compound Name5-[(3R)-4-[1-(cyclopropylmethyl)pyrazol-4-yl]sulfonyl-3-methylpiperazin-1-yl]-1-(4-fluorophenyl)indazole
PubChem CID163865683
Molecular FormulaC25H27FN6O2S
Molecular Weight494.60 g/mol
Exact Mass494.19
IUPAC Name5-[(3R)-4-[1-(cyclopropylmethyl)pyrazol-4-yl]sulfonyl-3-methylpiperazin-1-yl]-1-(4-fluorophenyl)indazole
SMILESC[C@@H]1CN(c2ccc3c(cnn3-c3ccc(F)cc3)c2)CCN1S(=O)(=O)c1cnn(CC2CC2)c1
InChIInChI=1S/C25H27FN6O2S/c1-18-15-29(10-11-31(18)35(33,34)24-14-27-30(17-24)16-19-2-3-19)23-8-9-25-20(12-23)13-28-32(25)22-6-4-21(26)5-7-22/h4-9,12-14,17-19H,2-3,10-11,15-16H2,1H3/t18-/m1/s1
InChIKeyPGKDCECHYWFFFT-GOSISDBHSA-N
XLogP3.67
TPSA76.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.60
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[(3R)-4-[1-(cyclopropylmethyl)pyrazol-4-yl]sulfonyl-3-methylpiperazin-1-yl]-1-(4-fluorophenyl)indazole with MolForge

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Related Compounds

1-cyclopentyl-N-[(2S)-1-[[1-(4-fluorophenyl)indazol-4-yl]amino]propan-2-yl]-3,5-dimethylpyrazole-4-sulfonamide
CID 16665449
1-cyclopentyl-N-[(2S)-1-[[1-(6-fluoro-3-pyridinyl)indazol-4-yl]amino]propan-2-yl]-3,5-dimethylpyrazole-4-sulfonamide
CID 57690900
US11787780, Example 117
CID 163429989
US11787780, Example 33
CID 163454585
US11787780, Example 15
CID 163475853
US11787780, Example 13
CID 163518189
US11787780, Example 12
CID 163518190
US11787780, Example 6
CID 163619812
US11787780, Example 124
CID 163625856
US11787780, Example 127
CID 163625857
US11787780, Example 40
CID 163652456
US11787780, Example 5
CID 163693397

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-4-[1-(cyclopropylmethyl)pyrazol-4-yl]sulfonyl-3-methylpiperazin-1-yl]-1-(4-fluorophenyl)indazole?
The IUPAC name of 5-[(3R)-4-[1-(cyclopropylmethyl)pyrazol-4-yl]sulfonyl-3-methylpiperazin-1-yl]-1-(4-fluorophenyl)indazole (CID 163865683) is 5-[(3R)-4-[1-(cyclopropylmethyl)pyrazol-4-yl]sulfonyl-3-methylpiperazin-1-yl]-1-(4-fluorophenyl)indazole.
What is the SMILES notation for 5-[(3R)-4-[1-(cyclopropylmethyl)pyrazol-4-yl]sulfonyl-3-methylpiperazin-1-yl]-1-(4-fluorophenyl)indazole?
The canonical SMILES for 5-[(3R)-4-[1-(cyclopropylmethyl)pyrazol-4-yl]sulfonyl-3-methylpiperazin-1-yl]-1-(4-fluorophenyl)indazole is C[C@@H]1CN(c2ccc3c(cnn3-c3ccc(F)cc3)c2)CCN1S(=O)(=O)c1cnn(CC2CC2)c1.
What is the InChIKey of 5-[(3R)-4-[1-(cyclopropylmethyl)pyrazol-4-yl]sulfonyl-3-methylpiperazin-1-yl]-1-(4-fluorophenyl)indazole?
The InChIKey is PGKDCECHYWFFFT-GOSISDBHSA-N. The full InChI is InChI=1S/C25H27FN6O2S/c1-18-15-29(10-11-31(18)35(33,34)24-14-27-30(17-24)16-19-2-3-19)23-8-9-25-20(12-23)13-28-32(25)22-6-4-21(26)5-7-22/h4-9,12-14,17-19H,2-3,10-11,15-16H2,1H3/t18-/m1/s1.
What are the key properties of 5-[(3R)-4-[1-(cyclopropylmethyl)pyrazol-4-yl]sulfonyl-3-methylpiperazin-1-yl]-1-(4-fluorophenyl)indazole?
5-[(3R)-4-[1-(cyclopropylmethyl)pyrazol-4-yl]sulfonyl-3-methylpiperazin-1-yl]-1-(4-fluorophenyl)indazole has a molecular weight of 494.60 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-4-[1-(cyclopropylmethyl)pyrazol-4-yl]sulfonyl-3-methylpiperazin-1-yl]-1-(4-fluorophenyl)indazole is sourced from PubChem (CID 163865683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).