N-[4-[3,5-dimethyl-4-(5-methyl-1H-indazol-4-yl)pyrazol-1-yl]-3-fluorophenyl]prop-2-enamide

C22H20FN5O — CID 171357524

IUPACN-[4-[3,5-dimethyl-4-(5-methyl-1H-indazol-4-yl)pyrazol-1-yl]-3-fluorophenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(-n2nc(C)c(-c3c(C)ccc4[nH]ncc34)c2C)c(F)c1
InChIInChI=1S/C22H20FN5O/c1-5-20(29)25-15-7-9-19(17(23)10-15)28-14(4)22(13(3)27-28)21-12(2)6-8-18-16(21)11-24-26-18/h5-11H,1H2,2-4H3,(H,24,26)(H,25,29)
InChIKeyQICYTGBHUIUDSQ-UHFFFAOYSA-N
MW389.43 g/mol
LogP4.60
Rot. Bonds4

About N-[4-[3,5-dimethyl-4-(5-methyl-1H-indazol-4-yl)pyrazol-1-yl]-3-fluorophenyl]prop-2-enamide

N-[4-[3,5-dimethyl-4-(5-methyl-1H-indazol-4-yl)pyrazol-1-yl]-3-fluorophenyl]prop-2-enamide (PubChem CID 171357524) has the molecular formula C22H20FN5O and a molecular weight of 389.43 g/mol. Its IUPAC name is N-[4-[3,5-dimethyl-4-(5-methyl-1H-indazol-4-yl)pyrazol-1-yl]-3-fluorophenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-[3,5-dimethyl-4-(5-methyl-1H-indazol-4-yl)pyrazol-1-yl]-3-fluorophenyl]prop-2-enamide
PubChem CID171357524
Molecular FormulaC22H20FN5O
Molecular Weight389.43 g/mol
Exact Mass389.17
IUPAC NameN-[4-[3,5-dimethyl-4-(5-methyl-1H-indazol-4-yl)pyrazol-1-yl]-3-fluorophenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(-n2nc(C)c(-c3c(C)ccc4[nH]ncc34)c2C)c(F)c1
InChIInChI=1S/C22H20FN5O/c1-5-20(29)25-15-7-9-19(17(23)10-15)28-14(4)22(13(3)27-28)21-12(2)6-8-18-16(21)11-24-26-18/h5-11H,1H2,2-4H3,(H,24,26)(H,25,29)
InChIKeyQICYTGBHUIUDSQ-UHFFFAOYSA-N
XLogP4.60
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[4-[3,5-dimethyl-4-(5-methyl-1H-indazol-4-yl)pyrazol-1-yl]-3-fluorophenyl]prop-2-enamide 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-[4-[3,5-dimethyl-4-(5-methyl-1H-indazol-4-yl)pyrazol-1-yl]-3-fluorophenyl]prop-2-enamide?
The IUPAC name of N-[4-[3,5-dimethyl-4-(5-methyl-1H-indazol-4-yl)pyrazol-1-yl]-3-fluorophenyl]prop-2-enamide (CID 171357524) is N-[4-[3,5-dimethyl-4-(5-methyl-1H-indazol-4-yl)pyrazol-1-yl]-3-fluorophenyl]prop-2-enamide.
What is the SMILES notation for N-[4-[3,5-dimethyl-4-(5-methyl-1H-indazol-4-yl)pyrazol-1-yl]-3-fluorophenyl]prop-2-enamide?
The canonical SMILES for N-[4-[3,5-dimethyl-4-(5-methyl-1H-indazol-4-yl)pyrazol-1-yl]-3-fluorophenyl]prop-2-enamide is C=CC(=O)Nc1ccc(-n2nc(C)c(-c3c(C)ccc4[nH]ncc34)c2C)c(F)c1.
What is the InChIKey of N-[4-[3,5-dimethyl-4-(5-methyl-1H-indazol-4-yl)pyrazol-1-yl]-3-fluorophenyl]prop-2-enamide?
The InChIKey is QICYTGBHUIUDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O/c1-5-20(29)25-15-7-9-19(17(23)10-15)28-14(4)22(13(3)27-28)21-12(2)6-8-18-16(21)11-24-26-18/h5-11H,1H2,2-4H3,(H,24,26)(H,25,29).
What are the key properties of N-[4-[3,5-dimethyl-4-(5-methyl-1H-indazol-4-yl)pyrazol-1-yl]-3-fluorophenyl]prop-2-enamide?
N-[4-[3,5-dimethyl-4-(5-methyl-1H-indazol-4-yl)pyrazol-1-yl]-3-fluorophenyl]prop-2-enamide has a molecular weight of 389.43 g/mol, XLogP of 4.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3,5-dimethyl-4-(5-methyl-1H-indazol-4-yl)pyrazol-1-yl]-3-fluorophenyl]prop-2-enamide is sourced from PubChem (CID 171357524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).