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

C26H31FN6O2S — CID 163429989

IUPACN-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-4-yl]-N-methyl-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)N(C)C2CCN(c3cc4cnn(-c5ccc(F)cc5)c4cc3C)CC2)cn1
InChIInChI=1S/C26H31FN6O2S/c1-4-11-32-18-24(17-28-32)36(34,35)30(3)22-9-12-31(13-10-22)25-15-20-16-29-33(26(20)14-19(25)2)23-7-5-21(27)6-8-23/h5-8,14-18,22H,4,9-13H2,1-3H3
InChIKeyAPQWZYYODGSNAS-UHFFFAOYSA-N
MW510.64 g/mol
LogP4.37
Rot. Bonds7

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

N-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-4-yl]-N-methyl-1-propylpyrazole-4-sulfonamide (PubChem CID 163429989) has the molecular formula C26H31FN6O2S and a molecular weight of 510.64 g/mol. Its IUPAC name is N-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-4-yl]-N-methyl-1-propylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-4-yl]-N-methyl-1-propylpyrazole-4-sulfonamide
PubChem CID163429989
Molecular FormulaC26H31FN6O2S
Molecular Weight510.64 g/mol
Exact Mass510.22
IUPAC NameN-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-4-yl]-N-methyl-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)N(C)C2CCN(c3cc4cnn(-c5ccc(F)cc5)c4cc3C)CC2)cn1
InChIInChI=1S/C26H31FN6O2S/c1-4-11-32-18-24(17-28-32)36(34,35)30(3)22-9-12-31(13-10-22)25-15-20-16-29-33(26(20)14-19(25)2)23-7-5-21(27)6-8-23/h5-8,14-18,22H,4,9-13H2,1-3H3
InChIKeyAPQWZYYODGSNAS-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-4-yl]-N-methyl-1-propylpyrazole-4-sulfonamide?
The IUPAC name of N-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-4-yl]-N-methyl-1-propylpyrazole-4-sulfonamide (CID 163429989) is N-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-4-yl]-N-methyl-1-propylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-4-yl]-N-methyl-1-propylpyrazole-4-sulfonamide?
The canonical SMILES for N-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-4-yl]-N-methyl-1-propylpyrazole-4-sulfonamide is CCCn1cc(S(=O)(=O)N(C)C2CCN(c3cc4cnn(-c5ccc(F)cc5)c4cc3C)CC2)cn1.
What is the InChIKey of N-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-4-yl]-N-methyl-1-propylpyrazole-4-sulfonamide?
The InChIKey is APQWZYYODGSNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN6O2S/c1-4-11-32-18-24(17-28-32)36(34,35)30(3)22-9-12-31(13-10-22)25-15-20-16-29-33(26(20)14-19(25)2)23-7-5-21(27)6-8-23/h5-8,14-18,22H,4,9-13H2,1-3H3.
What are the key properties of N-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-4-yl]-N-methyl-1-propylpyrazole-4-sulfonamide?
N-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-4-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-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-4-yl]-N-methyl-1-propylpyrazole-4-sulfonamide is sourced from PubChem (CID 163429989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).