5-cyclopropyl-2-(4-fluorophenyl)-6-[2-hydroxyethyl-[methyl(methylidene)-λ4-sulfanyl]amino]-N-methylindazole-3-carboxamide

C22H25FN4O2S — CID 87753082

IUPAC5-cyclopropyl-2-(4-fluorophenyl)-6-[2-hydroxyethyl-[methyl(methylidene)-λ4-sulfanyl]amino]-N-methylindazole-3-carboxamide
SMILESC=S(C)N(CCO)c1cc2nn(-c3ccc(F)cc3)c(C(=O)NC)c2cc1C1CC1
InChIInChI=1S/C22H25FN4O2S/c1-24-22(29)21-18-12-17(14-4-5-14)20(26(10-11-28)30(2)3)13-19(18)25-27(21)16-8-6-15(23)7-9-16/h6-9,12-14,28H,2,4-5,10-11H2,1,3H3,(H,24,29)
InChIKeyJPRZEDDWIUELRN-UHFFFAOYSA-N
MW428.53 g/mol
LogP3.45
Rot. Bonds7

About 5-cyclopropyl-2-(4-fluorophenyl)-6-[2-hydroxyethyl-[methyl(methylidene)-λ4-sulfanyl]amino]-N-methylindazole-3-carboxamide

5-cyclopropyl-2-(4-fluorophenyl)-6-[2-hydroxyethyl-[methyl(methylidene)-λ4-sulfanyl]amino]-N-methylindazole-3-carboxamide (PubChem CID 87753082) has the molecular formula C22H25FN4O2S and a molecular weight of 428.53 g/mol. Its IUPAC name is 5-cyclopropyl-2-(4-fluorophenyl)-6-[2-hydroxyethyl-[methyl(methylidene)-λ4-sulfanyl]amino]-N-methylindazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-2-(4-fluorophenyl)-6-[2-hydroxyethyl-[methyl(methylidene)-λ4-sulfanyl]amino]-N-methylindazole-3-carboxamide
PubChem CID87753082
Molecular FormulaC22H25FN4O2S
Molecular Weight428.53 g/mol
Exact Mass428.17
IUPAC Name5-cyclopropyl-2-(4-fluorophenyl)-6-[2-hydroxyethyl-[methyl(methylidene)-λ4-sulfanyl]amino]-N-methylindazole-3-carboxamide
SMILESC=S(C)N(CCO)c1cc2nn(-c3ccc(F)cc3)c(C(=O)NC)c2cc1C1CC1
InChIInChI=1S/C22H25FN4O2S/c1-24-22(29)21-18-12-17(14-4-5-14)20(26(10-11-28)30(2)3)13-19(18)25-27(21)16-8-6-15(23)7-9-16/h6-9,12-14,28H,2,4-5,10-11H2,1,3H3,(H,24,29)
InChIKeyJPRZEDDWIUELRN-UHFFFAOYSA-N
XLogP3.45
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 5-cyclopropyl-2-(4-fluorophenyl)-6-[2-hydroxyethyl-[methyl(methylidene)-λ4-sulfanyl]amino]-N-methylindazole-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

5-cyclopropyl-6-[ethyl(methylsulfonyl)amino]-2-[4-(4-fluoroanilino)phenyl]-N-methylindazole-3-carboxamide
CID 56962929
4-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfinylamino]butanoyloxymethyl 2,2-dimethylpropanoate
CID 69250415
6-[2-bromoethyl(methylsulfonyl)amino]-2-(4-chlorophenyl)-5-cyclopropyl-N-methylindazole-3-carboxamide
CID 86699003
2-(4-bromophenyl)-5-cyclopropyl-6-[ethyl(trifluoromethylsulfonyl)amino]-N-methylindazole-3-carboxamide
CID 56962854
5-cyclopropyl-2-[4-(3-hydroxyanilino)phenyl]-6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methylindazole-3-carboxamide
CID 67512363
2-(4-bromophenyl)-5-cyclopropyl-N-methyl-6-[methylsulfonyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]indazole-3-carboxamide
CID 56962453
6-[3-(cyclopropanecarbonylamino)propyl-methylsulfonylamino]-5-cyclopropyl-N-methyl-2-(4-methylphenyl)indazole-3-carboxamide
CID 69252324
2-(4-bromophenyl)-5-cyclopropyl-6-(methanesulfinamido)-N-methylindazole-3-carboxamide
CID 67962376
2-(4-bromophenyl)-5-cyclopropyl-6-[3-(3-methoxypropanoylamino)propyl-methylsulfonylamino]-N-methylindazole-3-carboxamide
CID 69250184
tert-butyl 3-[2-[[2-(4-chlorophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]ethyl]azetidine-1-carboxylate
CID 71768611
tert-butyl N-[3-[3-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]propylamino]-3-oxopropyl]carbamate
CID 67962379
2-(4-bromo-3-fluorophenyl)-5-cyclopropyl-6-(methanesulfonamido)-N-methylindazole-3-carboxamide
CID 56963170

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-(4-fluorophenyl)-6-[2-hydroxyethyl-[methyl(methylidene)-λ4-sulfanyl]amino]-N-methylindazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-2-(4-fluorophenyl)-6-[2-hydroxyethyl-[methyl(methylidene)-λ4-sulfanyl]amino]-N-methylindazole-3-carboxamide (CID 87753082) is 5-cyclopropyl-2-(4-fluorophenyl)-6-[2-hydroxyethyl-[methyl(methylidene)-λ4-sulfanyl]amino]-N-methylindazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-2-(4-fluorophenyl)-6-[2-hydroxyethyl-[methyl(methylidene)-λ4-sulfanyl]amino]-N-methylindazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-2-(4-fluorophenyl)-6-[2-hydroxyethyl-[methyl(methylidene)-λ4-sulfanyl]amino]-N-methylindazole-3-carboxamide is C=S(C)N(CCO)c1cc2nn(-c3ccc(F)cc3)c(C(=O)NC)c2cc1C1CC1.
What is the InChIKey of 5-cyclopropyl-2-(4-fluorophenyl)-6-[2-hydroxyethyl-[methyl(methylidene)-λ4-sulfanyl]amino]-N-methylindazole-3-carboxamide?
The InChIKey is JPRZEDDWIUELRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O2S/c1-24-22(29)21-18-12-17(14-4-5-14)20(26(10-11-28)30(2)3)13-19(18)25-27(21)16-8-6-15(23)7-9-16/h6-9,12-14,28H,2,4-5,10-11H2,1,3H3,(H,24,29).
What are the key properties of 5-cyclopropyl-2-(4-fluorophenyl)-6-[2-hydroxyethyl-[methyl(methylidene)-λ4-sulfanyl]amino]-N-methylindazole-3-carboxamide?
5-cyclopropyl-2-(4-fluorophenyl)-6-[2-hydroxyethyl-[methyl(methylidene)-λ4-sulfanyl]amino]-N-methylindazole-3-carboxamide has a molecular weight of 428.53 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-(4-fluorophenyl)-6-[2-hydroxyethyl-[methyl(methylidene)-λ4-sulfanyl]amino]-N-methylindazole-3-carboxamide is sourced from PubChem (CID 87753082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).