3-[1-(imidazo[1,2-a]pyridin-6-ylmethyl)-4,5-dihydrotriazol-4-yl]-1-(1-propylpyrazol-4-yl)propan-1-imine

C19H24N8 — CID 123818609

IUPAC3-[1-(imidazo[1,2-a]pyridin-6-ylmethyl)-4,5-dihydrotriazol-4-yl]-1-(1-propylpyrazol-4-yl)propan-1-imine
SMILES[H]/N=C(/CCC1CN(Cc2ccc3nccn3c2)N=N1)c1cnn(CCC)c1
InChIInChI=1S/C19H24N8/c1-2-8-26-13-16(10-22-26)18(20)5-4-17-14-27(24-23-17)12-15-3-6-19-21-7-9-25(19)11-15/h3,6-7,9-11,13,17,20H,2,4-5,8,12,14H2,1H3/b20-18-
InChIKeyYZGCPDRXIKUENW-ZZEZOPTASA-N
MW364.46 g/mol
LogP3.34
Rot. Bonds8

About 3-[1-(imidazo[1,2-a]pyridin-6-ylmethyl)-4,5-dihydrotriazol-4-yl]-1-(1-propylpyrazol-4-yl)propan-1-imine

3-[1-(imidazo[1,2-a]pyridin-6-ylmethyl)-4,5-dihydrotriazol-4-yl]-1-(1-propylpyrazol-4-yl)propan-1-imine (PubChem CID 123818609) has the molecular formula C19H24N8 and a molecular weight of 364.46 g/mol. Its IUPAC name is 3-[1-(imidazo[1,2-a]pyridin-6-ylmethyl)-4,5-dihydrotriazol-4-yl]-1-(1-propylpyrazol-4-yl)propan-1-imine.

Molecular Properties

Compound Name3-[1-(imidazo[1,2-a]pyridin-6-ylmethyl)-4,5-dihydrotriazol-4-yl]-1-(1-propylpyrazol-4-yl)propan-1-imine
PubChem CID123818609
Molecular FormulaC19H24N8
Molecular Weight364.46 g/mol
Exact Mass364.21
IUPAC Name3-[1-(imidazo[1,2-a]pyridin-6-ylmethyl)-4,5-dihydrotriazol-4-yl]-1-(1-propylpyrazol-4-yl)propan-1-imine
SMILES[H]/N=C(/CCC1CN(Cc2ccc3nccn3c2)N=N1)c1cnn(CCC)c1
InChIInChI=1S/C19H24N8/c1-2-8-26-13-16(10-22-26)18(20)5-4-17-14-27(24-23-17)12-15-3-6-19-21-7-9-25(19)11-15/h3,6-7,9-11,13,17,20H,2,4-5,8,12,14H2,1H3/b20-18-
InChIKeyYZGCPDRXIKUENW-ZZEZOPTASA-N
XLogP3.34
TPSA86.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.46
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-[[3-(1-propylpyrazol-4-yl)-2,7,8-triazabicyclo[4.2.0]octa-1(6),2,4-trien-8-yl]methyl]imidazo[1,2-a]pyridine
CID 118214093
ethyl 1-propylpyrazole-4-carboximidate
CID 103572756
3-hydrazinyl-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-6-(1-propylpyrazol-4-yl)pyrazin-2-amine
CID 155150035
2-cyclohexyl-2-methoxy-1-(1-propylpyrazol-4-yl)ethanone
CID 116750961
2,2-dimethylpropanamide;6-ethylimidazo[1,2-a]pyridine
CID 157046695
(4-butylcyclohexyl)-(1-propylpyrazol-4-yl)methanone
CID 114963777
2-imidazo[1,2-a]pyridin-6-ylacetaldehyde
CID 54198783
[3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]-(1-propylpyrazol-4-yl)methanone
CID 128970013
3-[(3R)-1-(1-propylpyrazole-4-carbonyl)piperidin-3-yl]propanoic acid
CID 129401379
2-[4-[5-diazenyl-6-(imidazo[1,2-a]pyridin-6-ylmethylamino)-2-pyridinyl]pyrazol-1-yl]ethanol
CID 167146802
4-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-1-N-(3-methylbutyl)benzene-1,4-dicarboxamide
CID 72699526
2-[4-[5-amino-6-(imidazo[1,2-a]pyridin-6-ylmethylamino)pyrazin-2-yl]pyrazol-1-yl]ethanol
CID 139321220

Frequently Asked Questions

What is the IUPAC name of 3-[1-(imidazo[1,2-a]pyridin-6-ylmethyl)-4,5-dihydrotriazol-4-yl]-1-(1-propylpyrazol-4-yl)propan-1-imine?
The IUPAC name of 3-[1-(imidazo[1,2-a]pyridin-6-ylmethyl)-4,5-dihydrotriazol-4-yl]-1-(1-propylpyrazol-4-yl)propan-1-imine (CID 123818609) is 3-[1-(imidazo[1,2-a]pyridin-6-ylmethyl)-4,5-dihydrotriazol-4-yl]-1-(1-propylpyrazol-4-yl)propan-1-imine.
What is the SMILES notation for 3-[1-(imidazo[1,2-a]pyridin-6-ylmethyl)-4,5-dihydrotriazol-4-yl]-1-(1-propylpyrazol-4-yl)propan-1-imine?
The canonical SMILES for 3-[1-(imidazo[1,2-a]pyridin-6-ylmethyl)-4,5-dihydrotriazol-4-yl]-1-(1-propylpyrazol-4-yl)propan-1-imine is [H]/N=C(/CCC1CN(Cc2ccc3nccn3c2)N=N1)c1cnn(CCC)c1.
What is the InChIKey of 3-[1-(imidazo[1,2-a]pyridin-6-ylmethyl)-4,5-dihydrotriazol-4-yl]-1-(1-propylpyrazol-4-yl)propan-1-imine?
The InChIKey is YZGCPDRXIKUENW-ZZEZOPTASA-N. The full InChI is InChI=1S/C19H24N8/c1-2-8-26-13-16(10-22-26)18(20)5-4-17-14-27(24-23-17)12-15-3-6-19-21-7-9-25(19)11-15/h3,6-7,9-11,13,17,20H,2,4-5,8,12,14H2,1H3/b20-18-.
What are the key properties of 3-[1-(imidazo[1,2-a]pyridin-6-ylmethyl)-4,5-dihydrotriazol-4-yl]-1-(1-propylpyrazol-4-yl)propan-1-imine?
3-[1-(imidazo[1,2-a]pyridin-6-ylmethyl)-4,5-dihydrotriazol-4-yl]-1-(1-propylpyrazol-4-yl)propan-1-imine has a molecular weight of 364.46 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(imidazo[1,2-a]pyridin-6-ylmethyl)-4,5-dihydrotriazol-4-yl]-1-(1-propylpyrazol-4-yl)propan-1-imine is sourced from PubChem (CID 123818609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).