1-(6-imidazol-1-yl-3-pyridinyl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine

C17H22N6 — CID 86808154

IUPAC1-(6-imidazol-1-yl-3-pyridinyl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine
SMILESCC(C)c1nn(C)cc1CNCc1ccc(-n2ccnc2)nc1
InChIInChI=1S/C17H22N6/c1-13(2)17-15(11-22(3)21-17)10-19-8-14-4-5-16(20-9-14)23-7-6-18-12-23/h4-7,9,11-13,19H,8,10H2,1-3H3
InChIKeyVEZQEJCDGZXNNJ-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.41
Rot. Bonds6

About 1-(6-imidazol-1-yl-3-pyridinyl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine

1-(6-imidazol-1-yl-3-pyridinyl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine (PubChem CID 86808154) has the molecular formula C17H22N6 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-(6-imidazol-1-yl-3-pyridinyl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(6-imidazol-1-yl-3-pyridinyl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine
PubChem CID86808154
Molecular FormulaC17H22N6
Molecular Weight310.40 g/mol
Exact Mass310.19
IUPAC Name1-(6-imidazol-1-yl-3-pyridinyl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine
SMILESCC(C)c1nn(C)cc1CNCc1ccc(-n2ccnc2)nc1
InChIInChI=1S/C17H22N6/c1-13(2)17-15(11-22(3)21-17)10-19-8-14-4-5-16(20-9-14)23-7-6-18-12-23/h4-7,9,11-13,19H,8,10H2,1-3H3
InChIKeyVEZQEJCDGZXNNJ-UHFFFAOYSA-N
XLogP2.41
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(6-imidazol-1-yl-3-pyridinyl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine 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 1-(6-imidazol-1-yl-3-pyridinyl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(6-imidazol-1-yl-3-pyridinyl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine (CID 86808154) is 1-(6-imidazol-1-yl-3-pyridinyl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(6-imidazol-1-yl-3-pyridinyl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(6-imidazol-1-yl-3-pyridinyl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine is CC(C)c1nn(C)cc1CNCc1ccc(-n2ccnc2)nc1.
What is the InChIKey of 1-(6-imidazol-1-yl-3-pyridinyl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine?
The InChIKey is VEZQEJCDGZXNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6/c1-13(2)17-15(11-22(3)21-17)10-19-8-14-4-5-16(20-9-14)23-7-6-18-12-23/h4-7,9,11-13,19H,8,10H2,1-3H3.
What are the key properties of 1-(6-imidazol-1-yl-3-pyridinyl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine?
1-(6-imidazol-1-yl-3-pyridinyl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine has a molecular weight of 310.40 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-imidazol-1-yl-3-pyridinyl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 86808154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).