N-[(3-chlorophenyl)methyl]-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-amine

C22H18ClN7 — CID 170074213

IUPACN-[(3-chlorophenyl)methyl]-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-amine
SMILESCc1cccc(-n2nc(NCc3cccc(Cl)c3)cc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C22H18ClN7/c1-15-4-2-7-22(27-15)30-19(17-8-9-21-25-14-26-29(21)13-17)11-20(28-30)24-12-16-5-3-6-18(23)10-16/h2-11,13-14H,12H2,1H3,(H,24,28)
InChIKeyHXVFTXQUCMPYRP-UHFFFAOYSA-N
MW415.89 g/mol
LogP4.55
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-amine

N-[(3-chlorophenyl)methyl]-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-amine (PubChem CID 170074213) has the molecular formula C22H18ClN7 and a molecular weight of 415.89 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-amine
PubChem CID170074213
Molecular FormulaC22H18ClN7
Molecular Weight415.89 g/mol
Exact Mass415.13
IUPAC NameN-[(3-chlorophenyl)methyl]-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-amine
SMILESCc1cccc(-n2nc(NCc3cccc(Cl)c3)cc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C22H18ClN7/c1-15-4-2-7-22(27-15)30-19(17-8-9-21-25-14-26-29(21)13-17)11-20(28-30)24-12-16-5-3-6-18(23)10-16/h2-11,13-14H,12H2,1H3,(H,24,28)
InChIKeyHXVFTXQUCMPYRP-UHFFFAOYSA-N
XLogP4.55
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.89
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(3-chlorophenyl)methyl]-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-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-chlorophenyl)methyl]-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-amine (CID 170074213) is N-[(3-chlorophenyl)methyl]-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-amine is Cc1cccc(-n2nc(NCc3cccc(Cl)c3)cc2-c2ccc3ncnn3c2)n1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-amine?
The InChIKey is HXVFTXQUCMPYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN7/c1-15-4-2-7-22(27-15)30-19(17-8-9-21-25-14-26-29(21)13-17)11-20(28-30)24-12-16-5-3-6-18(23)10-16/h2-11,13-14H,12H2,1H3,(H,24,28).
What are the key properties of N-[(3-chlorophenyl)methyl]-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-amine?
N-[(3-chlorophenyl)methyl]-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-amine has a molecular weight of 415.89 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-amine is sourced from PubChem (CID 170074213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).