N-[(3-chloro-2-fluorophenyl)methyl]-4-(1H-indazol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-amine

C23H18ClFN6 — CID 167427835

IUPACN-[(3-chloro-2-fluorophenyl)methyl]-4-(1H-indazol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-amine
SMILESCc1cccc(-c2[nH]c(NCc3cccc(Cl)c3F)nc2-c2ccc3[nH]ncc3c2)n1
InChIInChI=1S/C23H18ClFN6/c1-13-4-2-7-19(28-13)22-21(14-8-9-18-16(10-14)12-27-31-18)29-23(30-22)26-11-15-5-3-6-17(24)20(15)25/h2-10,12H,11H2,1H3,(H,27,31)(H2,26,29,30)
InChIKeyRWBHBQMJZIBEBQ-UHFFFAOYSA-N
MW432.89 g/mol
LogP5.73
Rot. Bonds5

About N-[(3-chloro-2-fluorophenyl)methyl]-4-(1H-indazol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-amine

N-[(3-chloro-2-fluorophenyl)methyl]-4-(1H-indazol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-amine (PubChem CID 167427835) has the molecular formula C23H18ClFN6 and a molecular weight of 432.89 g/mol. Its IUPAC name is N-[(3-chloro-2-fluorophenyl)methyl]-4-(1H-indazol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[(3-chloro-2-fluorophenyl)methyl]-4-(1H-indazol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-amine
PubChem CID167427835
Molecular FormulaC23H18ClFN6
Molecular Weight432.89 g/mol
Exact Mass432.13
IUPAC NameN-[(3-chloro-2-fluorophenyl)methyl]-4-(1H-indazol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-amine
SMILESCc1cccc(-c2[nH]c(NCc3cccc(Cl)c3F)nc2-c2ccc3[nH]ncc3c2)n1
InChIInChI=1S/C23H18ClFN6/c1-13-4-2-7-19(28-13)22-21(14-8-9-18-16(10-14)12-27-31-18)29-23(30-22)26-11-15-5-3-6-17(24)20(15)25/h2-10,12H,11H2,1H3,(H,27,31)(H2,26,29,30)
InChIKeyRWBHBQMJZIBEBQ-UHFFFAOYSA-N
XLogP5.73
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.89
LogP ≤ 55.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(3-chloro-2-fluorophenyl)methyl]-4-(1H-indazol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-amine 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-[(3-chloro-2-fluorophenyl)methyl]-4-(1H-indazol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-amine?
The IUPAC name of N-[(3-chloro-2-fluorophenyl)methyl]-4-(1H-indazol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-amine (CID 167427835) is N-[(3-chloro-2-fluorophenyl)methyl]-4-(1H-indazol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-amine.
What is the SMILES notation for N-[(3-chloro-2-fluorophenyl)methyl]-4-(1H-indazol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-amine?
The canonical SMILES for N-[(3-chloro-2-fluorophenyl)methyl]-4-(1H-indazol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-amine is Cc1cccc(-c2[nH]c(NCc3cccc(Cl)c3F)nc2-c2ccc3[nH]ncc3c2)n1.
What is the InChIKey of N-[(3-chloro-2-fluorophenyl)methyl]-4-(1H-indazol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-amine?
The InChIKey is RWBHBQMJZIBEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFN6/c1-13-4-2-7-19(28-13)22-21(14-8-9-18-16(10-14)12-27-31-18)29-23(30-22)26-11-15-5-3-6-17(24)20(15)25/h2-10,12H,11H2,1H3,(H,27,31)(H2,26,29,30).
What are the key properties of N-[(3-chloro-2-fluorophenyl)methyl]-4-(1H-indazol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-amine?
N-[(3-chloro-2-fluorophenyl)methyl]-4-(1H-indazol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-amine has a molecular weight of 432.89 g/mol, XLogP of 5.73, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-fluorophenyl)methyl]-4-(1H-indazol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-amine is sourced from PubChem (CID 167427835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).