5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]sulfonyl-3-methylpiperazin-1-yl]-1-(4-fluorophenyl)-6-methylindazole

C26H29FN6O2S — CID 174232051

IUPAC5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]sulfonyl-3-methylpiperazin-1-yl]-1-(4-fluorophenyl)-6-methylindazole
SMILESCc1cc2c(cnn2-c2ccc(F)cc2)cc1N1CCN(S(=O)(=O)c2cnn(CC3CC3)c2)C(C)C1
InChIInChI=1S/C26H29FN6O2S/c1-18-11-26-21(13-29-33(26)23-7-5-22(27)6-8-23)12-25(18)30-9-10-32(19(2)15-30)36(34,35)24-14-28-31(17-24)16-20-3-4-20/h5-8,11-14,17,19-20H,3-4,9-10,15-16H2,1-2H3
InChIKeyRHQHCJPVQIATIE-UHFFFAOYSA-N
MW508.62 g/mol
LogP3.98
Rot. Bonds6

About 5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]sulfonyl-3-methylpiperazin-1-yl]-1-(4-fluorophenyl)-6-methylindazole

5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]sulfonyl-3-methylpiperazin-1-yl]-1-(4-fluorophenyl)-6-methylindazole (PubChem CID 174232051) has the molecular formula C26H29FN6O2S and a molecular weight of 508.62 g/mol. Its IUPAC name is 5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]sulfonyl-3-methylpiperazin-1-yl]-1-(4-fluorophenyl)-6-methylindazole.

Molecular Properties

Compound Name5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]sulfonyl-3-methylpiperazin-1-yl]-1-(4-fluorophenyl)-6-methylindazole
PubChem CID174232051
Molecular FormulaC26H29FN6O2S
Molecular Weight508.62 g/mol
Exact Mass508.21
IUPAC Name5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]sulfonyl-3-methylpiperazin-1-yl]-1-(4-fluorophenyl)-6-methylindazole
SMILESCc1cc2c(cnn2-c2ccc(F)cc2)cc1N1CCN(S(=O)(=O)c2cnn(CC3CC3)c2)C(C)C1
InChIInChI=1S/C26H29FN6O2S/c1-18-11-26-21(13-29-33(26)23-7-5-22(27)6-8-23)12-25(18)30-9-10-32(19(2)15-30)36(34,35)24-14-28-31(17-24)16-20-3-4-20/h5-8,11-14,17,19-20H,3-4,9-10,15-16H2,1-2H3
InChIKeyRHQHCJPVQIATIE-UHFFFAOYSA-N
XLogP3.98
TPSA76.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.62
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[(2S)-1-[1-(cyclopropylmethyl)pyrazol-4-yl]sulfonyl-4-[1-(4-fluorophenyl)indazol-5-yl]piperazin-2-yl]methanol
CID 163882630
1-(4-fluorophenyl)-5-[(3R)-3-methyl-4-[1-(2-methylpropyl)pyrazol-4-yl]sulfonylpiperazin-1-yl]indazole
CID 166917314
1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-N-methylpyrrolidine-3-sulfonamide
CID 163977915
1-(4-fluorophenyl)-6-methyl-5-[5-(1-propylpyrazol-4-yl)sulfonyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]indazole
CID 166916265
N-[(3R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]pyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide
CID 167337299
N-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-4-yl]methanesulfonamide
CID 166916424
N-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-3-methylpyrrolidin-3-yl]-1-propylpyrazole-4-sulfonamide
CID 166917285
1-(4-fluorophenyl)-6-methyl-5-[(2R,4S)-2-methyl-1-(1-propylpyrrol-3-yl)sulfonylpiperidin-4-yl]indazole
CID 170273732
1-(4-fluorophenyl)-6-methyl-5-[4-(1-methylpyrrol-3-yl)sulfonyl-4,7-diazaspiro[2.5]octan-7-yl]indazole
CID 170273752
1-(4-fluorophenyl)-6-methyl-5-[4-(1-methylpyrazol-4-yl)sulfanylpiperidin-1-yl]indazole
CID 166917364
5-[(2S)-1-(cyclobutylmethyl)-4-(2-methyltriazol-4-yl)sulfonylpiperazin-2-yl]-1-(4-fluorophenyl)-6-methylindazole
CID 168812921
1-(4-fluorophenyl)-6-methyl-5-[4-(1-propylpyrazol-4-yl)sulfonyl-4,7-diazaspiro[2.5]octan-7-yl]benzotriazole
CID 167337384

Frequently Asked Questions

What is the IUPAC name of 5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]sulfonyl-3-methylpiperazin-1-yl]-1-(4-fluorophenyl)-6-methylindazole?
The IUPAC name of 5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]sulfonyl-3-methylpiperazin-1-yl]-1-(4-fluorophenyl)-6-methylindazole (CID 174232051) is 5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]sulfonyl-3-methylpiperazin-1-yl]-1-(4-fluorophenyl)-6-methylindazole.
What is the SMILES notation for 5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]sulfonyl-3-methylpiperazin-1-yl]-1-(4-fluorophenyl)-6-methylindazole?
The canonical SMILES for 5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]sulfonyl-3-methylpiperazin-1-yl]-1-(4-fluorophenyl)-6-methylindazole is Cc1cc2c(cnn2-c2ccc(F)cc2)cc1N1CCN(S(=O)(=O)c2cnn(CC3CC3)c2)C(C)C1.
What is the InChIKey of 5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]sulfonyl-3-methylpiperazin-1-yl]-1-(4-fluorophenyl)-6-methylindazole?
The InChIKey is RHQHCJPVQIATIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN6O2S/c1-18-11-26-21(13-29-33(26)23-7-5-22(27)6-8-23)12-25(18)30-9-10-32(19(2)15-30)36(34,35)24-14-28-31(17-24)16-20-3-4-20/h5-8,11-14,17,19-20H,3-4,9-10,15-16H2,1-2H3.
What are the key properties of 5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]sulfonyl-3-methylpiperazin-1-yl]-1-(4-fluorophenyl)-6-methylindazole?
5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]sulfonyl-3-methylpiperazin-1-yl]-1-(4-fluorophenyl)-6-methylindazole has a molecular weight of 508.62 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]sulfonyl-3-methylpiperazin-1-yl]-1-(4-fluorophenyl)-6-methylindazole is sourced from PubChem (CID 174232051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).