1-(4-fluorophenyl)-6-methyl-5-[4-(1-methylpyrazol-4-yl)sulfanylpiperidin-1-yl]indazole

C23H24FN5S — CID 166917364

IUPAC1-(4-fluorophenyl)-6-methyl-5-[4-(1-methylpyrazol-4-yl)sulfanylpiperidin-1-yl]indazole
SMILESCc1cc2c(cnn2-c2ccc(F)cc2)cc1N1CCC(Sc2cnn(C)c2)CC1
InChIInChI=1S/C23H24FN5S/c1-16-11-23-17(13-26-29(23)19-5-3-18(24)4-6-19)12-22(16)28-9-7-20(8-10-28)30-21-14-25-27(2)15-21/h3-6,11-15,20H,7-10H2,1-2H3
InChIKeyDBUPNOAHKAKNCO-UHFFFAOYSA-N
MW421.55 g/mol
LogP4.97
Rot. Bonds4

About 1-(4-fluorophenyl)-6-methyl-5-[4-(1-methylpyrazol-4-yl)sulfanylpiperidin-1-yl]indazole

1-(4-fluorophenyl)-6-methyl-5-[4-(1-methylpyrazol-4-yl)sulfanylpiperidin-1-yl]indazole (PubChem CID 166917364) has the molecular formula C23H24FN5S and a molecular weight of 421.55 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-6-methyl-5-[4-(1-methylpyrazol-4-yl)sulfanylpiperidin-1-yl]indazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-6-methyl-5-[4-(1-methylpyrazol-4-yl)sulfanylpiperidin-1-yl]indazole
PubChem CID166917364
Molecular FormulaC23H24FN5S
Molecular Weight421.55 g/mol
Exact Mass421.17
IUPAC Name1-(4-fluorophenyl)-6-methyl-5-[4-(1-methylpyrazol-4-yl)sulfanylpiperidin-1-yl]indazole
SMILESCc1cc2c(cnn2-c2ccc(F)cc2)cc1N1CCC(Sc2cnn(C)c2)CC1
InChIInChI=1S/C23H24FN5S/c1-16-11-23-17(13-26-29(23)19-5-3-18(24)4-6-19)12-22(16)28-9-7-20(8-10-28)30-21-14-25-27(2)15-21/h3-6,11-15,20H,7-10H2,1-2H3
InChIKeyDBUPNOAHKAKNCO-UHFFFAOYSA-N
XLogP4.97
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-6-methyl-5-[4-(1-methylpyrazol-4-yl)sulfanylpiperidin-1-yl]indazole?
The IUPAC name of 1-(4-fluorophenyl)-6-methyl-5-[4-(1-methylpyrazol-4-yl)sulfanylpiperidin-1-yl]indazole (CID 166917364) is 1-(4-fluorophenyl)-6-methyl-5-[4-(1-methylpyrazol-4-yl)sulfanylpiperidin-1-yl]indazole.
What is the SMILES notation for 1-(4-fluorophenyl)-6-methyl-5-[4-(1-methylpyrazol-4-yl)sulfanylpiperidin-1-yl]indazole?
The canonical SMILES for 1-(4-fluorophenyl)-6-methyl-5-[4-(1-methylpyrazol-4-yl)sulfanylpiperidin-1-yl]indazole is Cc1cc2c(cnn2-c2ccc(F)cc2)cc1N1CCC(Sc2cnn(C)c2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-6-methyl-5-[4-(1-methylpyrazol-4-yl)sulfanylpiperidin-1-yl]indazole?
The InChIKey is DBUPNOAHKAKNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5S/c1-16-11-23-17(13-26-29(23)19-5-3-18(24)4-6-19)12-22(16)28-9-7-20(8-10-28)30-21-14-25-27(2)15-21/h3-6,11-15,20H,7-10H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-6-methyl-5-[4-(1-methylpyrazol-4-yl)sulfanylpiperidin-1-yl]indazole?
1-(4-fluorophenyl)-6-methyl-5-[4-(1-methylpyrazol-4-yl)sulfanylpiperidin-1-yl]indazole has a molecular weight of 421.55 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-6-methyl-5-[4-(1-methylpyrazol-4-yl)sulfanylpiperidin-1-yl]indazole is sourced from PubChem (CID 166917364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).