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

C26H31FN6O2S — CID 163768120

IUPACN-[(3S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-3-yl]-N-methyl-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)N(C)[C@H]2CCCN(c3cc4cnn(-c5ccc(F)cc5)c4cc3C)C2)cn1
InChIInChI=1S/C26H31FN6O2S/c1-4-11-32-18-24(16-28-32)36(34,35)30(3)23-6-5-12-31(17-23)25-14-20-15-29-33(26(20)13-19(25)2)22-9-7-21(27)8-10-22/h7-10,13-16,18,23H,4-6,11-12,17H2,1-3H3/t23-/m0/s1
InChIKeyMECLNINHXZBTLT-QHCPKHFHSA-N
MW510.64 g/mol
LogP4.37
Rot. Bonds7

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

N-[(3S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-3-yl]-N-methyl-1-propylpyrazole-4-sulfonamide (PubChem CID 163768120) has the molecular formula C26H31FN6O2S and a molecular weight of 510.64 g/mol. Its IUPAC name is N-[(3S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-3-yl]-N-methyl-1-propylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(3S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-3-yl]-N-methyl-1-propylpyrazole-4-sulfonamide
PubChem CID163768120
Molecular FormulaC26H31FN6O2S
Molecular Weight510.64 g/mol
Exact Mass510.22
IUPAC NameN-[(3S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-3-yl]-N-methyl-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)N(C)[C@H]2CCCN(c3cc4cnn(-c5ccc(F)cc5)c4cc3C)C2)cn1
InChIInChI=1S/C26H31FN6O2S/c1-4-11-32-18-24(16-28-32)36(34,35)30(3)23-6-5-12-31(17-23)25-14-20-15-29-33(26(20)13-19(25)2)22-9-7-21(27)8-10-22/h7-10,13-16,18,23H,4-6,11-12,17H2,1-3H3/t23-/m0/s1
InChIKeyMECLNINHXZBTLT-QHCPKHFHSA-N
XLogP4.37
TPSA76.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.64
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[(3S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-3-yl]-N-methyl-1-propylpyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-3-yl]-N-methyl-1-propylpyrazole-4-sulfonamide?
The IUPAC name of N-[(3S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-3-yl]-N-methyl-1-propylpyrazole-4-sulfonamide (CID 163768120) is N-[(3S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-3-yl]-N-methyl-1-propylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(3S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-3-yl]-N-methyl-1-propylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(3S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-3-yl]-N-methyl-1-propylpyrazole-4-sulfonamide is CCCn1cc(S(=O)(=O)N(C)[C@H]2CCCN(c3cc4cnn(-c5ccc(F)cc5)c4cc3C)C2)cn1.
What is the InChIKey of N-[(3S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-3-yl]-N-methyl-1-propylpyrazole-4-sulfonamide?
The InChIKey is MECLNINHXZBTLT-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H31FN6O2S/c1-4-11-32-18-24(16-28-32)36(34,35)30(3)23-6-5-12-31(17-23)25-14-20-15-29-33(26(20)13-19(25)2)22-9-7-21(27)8-10-22/h7-10,13-16,18,23H,4-6,11-12,17H2,1-3H3/t23-/m0/s1.
What are the key properties of N-[(3S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-3-yl]-N-methyl-1-propylpyrazole-4-sulfonamide?
N-[(3S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-3-yl]-N-methyl-1-propylpyrazole-4-sulfonamide has a molecular weight of 510.64 g/mol, XLogP of 4.37, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-3-yl]-N-methyl-1-propylpyrazole-4-sulfonamide is sourced from PubChem (CID 163768120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).