6-[1,5-dimethyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine

C19H16N6 — CID 153434340

IUPAC6-[1,5-dimethyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine
SMILES[C-]#[N+]c1cnc2ccc(-c3c(-c4cccc(C)n4)nn(C)c3C)cn12
InChIInChI=1S/C19H16N6/c1-12-6-5-7-15(22-12)19-18(13(2)24(4)23-19)14-8-9-16-21-10-17(20-3)25(16)11-14/h5-11H,1-2,4H3
InChIKeyJJUSAXHJZGDAQO-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.96
Rot. Bonds2

About 6-[1,5-dimethyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine

6-[1,5-dimethyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine (PubChem CID 153434340) has the molecular formula C19H16N6 and a molecular weight of 328.38 g/mol. Its IUPAC name is 6-[1,5-dimethyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-[1,5-dimethyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine
PubChem CID153434340
Molecular FormulaC19H16N6
Molecular Weight328.38 g/mol
Exact Mass328.14
IUPAC Name6-[1,5-dimethyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine
SMILES[C-]#[N+]c1cnc2ccc(-c3c(-c4cccc(C)n4)nn(C)c3C)cn12
InChIInChI=1S/C19H16N6/c1-12-6-5-7-15(22-12)19-18(13(2)24(4)23-19)14-8-9-16-21-10-17(20-3)25(16)11-14/h5-11H,1-2,4H3
InChIKeyJJUSAXHJZGDAQO-UHFFFAOYSA-N
XLogP3.96
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[3-(4-fluorophenyl)-1,5-dimethylpyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine
CID 161438503
2-[[5-bromo-4-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 153434182
6-[1,5-dimethyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 146389693
2-[[4-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 153434240
2-[6-[1-methyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]propan-2-ol
CID 134202478
3-isocyano-6-(2-pyridin-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine
CID 140738834
6-[5-methyl-3-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile
CID 134201704
2-[[3-(6-fluoro-2-pyridinyl)-4-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 153434279
3-isocyano-6-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine
CID 153434233
6-[5-cyclopropyl-3-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile
CID 134201753
6-[2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine
CID 140738843
6-[5-cyclopropyl-3-(4-fluoro-3-methylphenyl)-1H-pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine
CID 153434315

Frequently Asked Questions

What is the IUPAC name of 6-[1,5-dimethyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine?
The IUPAC name of 6-[1,5-dimethyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine (CID 153434340) is 6-[1,5-dimethyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine.
What is the SMILES notation for 6-[1,5-dimethyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine?
The canonical SMILES for 6-[1,5-dimethyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine is [C-]#[N+]c1cnc2ccc(-c3c(-c4cccc(C)n4)nn(C)c3C)cn12.
What is the InChIKey of 6-[1,5-dimethyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine?
The InChIKey is JJUSAXHJZGDAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6/c1-12-6-5-7-15(22-12)19-18(13(2)24(4)23-19)14-8-9-16-21-10-17(20-3)25(16)11-14/h5-11H,1-2,4H3.
What are the key properties of 6-[1,5-dimethyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine?
6-[1,5-dimethyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine has a molecular weight of 328.38 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1,5-dimethyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine is sourced from PubChem (CID 153434340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).