N-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-3-methylpyrrolidin-3-yl]-1-propylpyrazole-4-sulfonamide

C25H29FN6O2S — CID 166917285

IUPACN-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-3-methylpyrrolidin-3-yl]-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NC2(C)CCN(c3cc4cnn(-c5ccc(F)cc5)c4cc3C)C2)cn1
InChIInChI=1S/C25H29FN6O2S/c1-4-10-31-16-22(15-27-31)35(33,34)29-25(3)9-11-30(17-25)23-13-19-14-28-32(24(19)12-18(23)2)21-7-5-20(26)6-8-21/h5-8,12-16,29H,4,9-11,17H2,1-3H3
InChIKeyISSBVSPZBQHSNF-UHFFFAOYSA-N
MW496.61 g/mol
LogP4.03
Rot. Bonds7

About N-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-3-methylpyrrolidin-3-yl]-1-propylpyrazole-4-sulfonamide

N-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-3-methylpyrrolidin-3-yl]-1-propylpyrazole-4-sulfonamide (PubChem CID 166917285) has the molecular formula C25H29FN6O2S and a molecular weight of 496.61 g/mol. Its IUPAC name is N-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-3-methylpyrrolidin-3-yl]-1-propylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-3-methylpyrrolidin-3-yl]-1-propylpyrazole-4-sulfonamide
PubChem CID166917285
Molecular FormulaC25H29FN6O2S
Molecular Weight496.61 g/mol
Exact Mass496.21
IUPAC NameN-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-3-methylpyrrolidin-3-yl]-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NC2(C)CCN(c3cc4cnn(-c5ccc(F)cc5)c4cc3C)C2)cn1
InChIInChI=1S/C25H29FN6O2S/c1-4-10-31-16-22(15-27-31)35(33,34)29-25(3)9-11-30(17-25)23-13-19-14-28-32(24(19)12-18(23)2)21-7-5-20(26)6-8-21/h5-8,12-16,29H,4,9-11,17H2,1-3H3
InChIKeyISSBVSPZBQHSNF-UHFFFAOYSA-N
XLogP4.03
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.61
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-3-methylpyrrolidin-3-yl]-1-propylpyrazole-4-sulfonamide?
The IUPAC name of N-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-3-methylpyrrolidin-3-yl]-1-propylpyrazole-4-sulfonamide (CID 166917285) is N-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-3-methylpyrrolidin-3-yl]-1-propylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-3-methylpyrrolidin-3-yl]-1-propylpyrazole-4-sulfonamide?
The canonical SMILES for N-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-3-methylpyrrolidin-3-yl]-1-propylpyrazole-4-sulfonamide is CCCn1cc(S(=O)(=O)NC2(C)CCN(c3cc4cnn(-c5ccc(F)cc5)c4cc3C)C2)cn1.
What is the InChIKey of N-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-3-methylpyrrolidin-3-yl]-1-propylpyrazole-4-sulfonamide?
The InChIKey is ISSBVSPZBQHSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN6O2S/c1-4-10-31-16-22(15-27-31)35(33,34)29-25(3)9-11-30(17-25)23-13-19-14-28-32(24(19)12-18(23)2)21-7-5-20(26)6-8-21/h5-8,12-16,29H,4,9-11,17H2,1-3H3.
What are the key properties of N-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-3-methylpyrrolidin-3-yl]-1-propylpyrazole-4-sulfonamide?
N-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-3-methylpyrrolidin-3-yl]-1-propylpyrazole-4-sulfonamide has a molecular weight of 496.61 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-3-methylpyrrolidin-3-yl]-1-propylpyrazole-4-sulfonamide is sourced from PubChem (CID 166917285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).