CGTZALHNBHLZGH-HVNZXBJASA-N

Name: CGTZALHNBHLZGH-HVNZXBJASA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₃₂H₃₀F₄N₆O₃S — CID 142455357

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACN-[(4aS,6S)-4a-(5-cyclopropylpyridine-2-carbonyl)-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-6-yl]-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-3-sulfonamide

SMILESCn1ccc(S(=O)(=O)N(CC(F)(F)F)[C@H]2CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@]3(C(=O)c3ccc(C4CC4)cn3)C2)n1

InChIInChI=1S/C32H30F4N6O3S/c1-40-13-12-29(39-40)46(44,45)41(19-32(34,35)36)26-8-5-23-14-28-22(18-38-42(28)25-9-6-24(33)7-10-25)15-31(23,16-26)30(43)27-11-4-21(17-37-27)20-2-3-20/h4,6-7,9-14,17-18,20,26H,2-3,5,8,15-16,19H2,1H3/t26-,31-/m0/s1

InChIKeyCGTZALHNBHLZGH-HVNZXBJASA-N

MW654.69 g/mol

LogP5.63

Rot. Bonds8

About CGTZALHNBHLZGH-HVNZXBJASA-N

CGTZALHNBHLZGH-HVNZXBJASA-N (PubChem CID 142455357) has the molecular formula C₃₂H₃₀F₄N₆O₃S and a molecular weight of 654.69 g/mol. Its IUPAC name is N-[(4aS,6S)-4a-(5-cyclopropylpyridine-2-carbonyl)-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-6-yl]-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-3-sulfonamide.

Molecular Properties

Compound Name	CGTZALHNBHLZGH-HVNZXBJASA-N
PubChem CID	142455357
Molecular Formula	C₃₂H₃₀F₄N₆O₃S
Molecular Weight	654.69 g/mol
Exact Mass	654.20
IUPAC Name	N-[(4aS,6S)-4a-(5-cyclopropylpyridine-2-carbonyl)-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-6-yl]-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-3-sulfonamide
SMILES	Cn1ccc(S(=O)(=O)N(CC(F)(F)F)[C@H]2CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@]3(C(=O)c3ccc(C4CC4)cn3)C2)n1
InChI	InChI=1S/C32H30F4N6O3S/c1-40-13-12-29(39-40)46(44,45)41(19-32(34,35)36)26-8-5-23-14-28-22(18-38-42(28)25-9-6-24(33)7-10-25)15-31(23,16-26)30(43)27-11-4-21(17-37-27)20-2-3-20/h4,6-7,9-14,17-18,20,26H,2-3,5,8,15-16,19H2,1H3/t26-,31-/m0/s1
InChIKey	CGTZALHNBHLZGH-HVNZXBJASA-N
XLogP	5.63
TPSA	102.98 Å²
H-Bond Donors
H-Bond Acceptors	8
Rotatable Bonds	8
Heavy Atoms	46
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	654.69
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of CGTZALHNBHLZGH-HVNZXBJASA-N?

The IUPAC name of CGTZALHNBHLZGH-HVNZXBJASA-N (CID 142455357) is N-[(4aS,6S)-4a-(5-cyclopropylpyridine-2-carbonyl)-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-6-yl]-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-3-sulfonamide.

What is the SMILES notation for CGTZALHNBHLZGH-HVNZXBJASA-N?

The canonical SMILES for CGTZALHNBHLZGH-HVNZXBJASA-N is Cn1ccc(S(=O)(=O)N(CC(F)(F)F)[C@H]2CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@]3(C(=O)c3ccc(C4CC4)cn3)C2)n1.

What is the InChIKey of CGTZALHNBHLZGH-HVNZXBJASA-N?

The InChIKey is CGTZALHNBHLZGH-HVNZXBJASA-N. The full InChI is InChI=1S/C32H30F4N6O3S/c1-40-13-12-29(39-40)46(44,45)41(19-32(34,35)36)26-8-5-23-14-28-22(18-38-42(28)25-9-6-24(33)7-10-25)15-31(23,16-26)30(43)27-11-4-21(17-37-27)20-2-3-20/h4,6-7,9-14,17-18,20,26H,2-3,5,8,15-16,19H2,1H3/t26-,31-/m0/s1.

What are the key properties of CGTZALHNBHLZGH-HVNZXBJASA-N?

CGTZALHNBHLZGH-HVNZXBJASA-N has a molecular weight of 654.69 g/mol, XLogP of 5.63, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for CGTZALHNBHLZGH-HVNZXBJASA-N is sourced from PubChem (CID 142455357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 142455357 — identifiers, structure, computed properties (public domain)

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