N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(3-methyl-1-prop-2-enylpyrazol-4-yl)methanamine

C17H21N5 — CID 46991536

IUPACN-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(3-methyl-1-prop-2-enylpyrazol-4-yl)methanamine
SMILESC=CCn1cc(CNCc2cn3cc(C)ccc3n2)c(C)n1
InChIInChI=1S/C17H21N5/c1-4-7-22-11-15(14(3)20-22)8-18-9-16-12-21-10-13(2)5-6-17(21)19-16/h4-6,10-12,18H,1,7-9H2,2-3H3
InChIKeyOFJNDJRVDBJGOL-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.62
Rot. Bonds6

About N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(3-methyl-1-prop-2-enylpyrazol-4-yl)methanamine

N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(3-methyl-1-prop-2-enylpyrazol-4-yl)methanamine (PubChem CID 46991536) has the molecular formula C17H21N5 and a molecular weight of 295.39 g/mol. Its IUPAC name is N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(3-methyl-1-prop-2-enylpyrazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(3-methyl-1-prop-2-enylpyrazol-4-yl)methanamine
PubChem CID46991536
Molecular FormulaC17H21N5
Molecular Weight295.39 g/mol
Exact Mass295.18
IUPAC NameN-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(3-methyl-1-prop-2-enylpyrazol-4-yl)methanamine
SMILESC=CCn1cc(CNCc2cn3cc(C)ccc3n2)c(C)n1
InChIInChI=1S/C17H21N5/c1-4-7-22-11-15(14(3)20-22)8-18-9-16-12-21-10-13(2)5-6-17(21)19-16/h4-6,10-12,18H,1,7-9H2,2-3H3
InChIKeyOFJNDJRVDBJGOL-UHFFFAOYSA-N
XLogP2.62
TPSA47.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(3-methyl-1-prop-2-enylpyrazol-4-yl)methanamine?
The IUPAC name of N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(3-methyl-1-prop-2-enylpyrazol-4-yl)methanamine (CID 46991536) is N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(3-methyl-1-prop-2-enylpyrazol-4-yl)methanamine.
What is the SMILES notation for N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(3-methyl-1-prop-2-enylpyrazol-4-yl)methanamine?
The canonical SMILES for N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(3-methyl-1-prop-2-enylpyrazol-4-yl)methanamine is C=CCn1cc(CNCc2cn3cc(C)ccc3n2)c(C)n1.
What is the InChIKey of N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(3-methyl-1-prop-2-enylpyrazol-4-yl)methanamine?
The InChIKey is OFJNDJRVDBJGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5/c1-4-7-22-11-15(14(3)20-22)8-18-9-16-12-21-10-13(2)5-6-17(21)19-16/h4-6,10-12,18H,1,7-9H2,2-3H3.
What are the key properties of N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(3-methyl-1-prop-2-enylpyrazol-4-yl)methanamine?
N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(3-methyl-1-prop-2-enylpyrazol-4-yl)methanamine has a molecular weight of 295.39 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(3-methyl-1-prop-2-enylpyrazol-4-yl)methanamine is sourced from PubChem (CID 46991536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).