1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)propan-1-one

C24H24N6O — CID 159130518

IUPAC1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)propan-1-one
SMILESO=C(CCc1cc2c(cn1)CCC2)c1cn(Cc2cn3cc(C4CC4)ccc3n2)nn1
InChIInChI=1S/C24H24N6O/c31-23(8-7-20-10-17-2-1-3-18(17)11-25-20)22-15-30(28-27-22)14-21-13-29-12-19(16-4-5-16)6-9-24(29)26-21/h6,9-13,15-16H,1-5,7-8,14H2
InChIKeyZKTPEORFZHWBMU-UHFFFAOYSA-N
MW412.50 g/mol
LogP3.55
Rot. Bonds7

About 1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)propan-1-one

1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)propan-1-one (PubChem CID 159130518) has the molecular formula C24H24N6O and a molecular weight of 412.50 g/mol. Its IUPAC name is 1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)propan-1-one.

Molecular Properties

Compound Name1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)propan-1-one
PubChem CID159130518
Molecular FormulaC24H24N6O
Molecular Weight412.50 g/mol
Exact Mass412.20
IUPAC Name1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)propan-1-one
SMILESO=C(CCc1cc2c(cn1)CCC2)c1cn(Cc2cn3cc(C4CC4)ccc3n2)nn1
InChIInChI=1S/C24H24N6O/c31-23(8-7-20-10-17-2-1-3-18(17)11-25-20)22-15-30(28-27-22)14-21-13-29-12-19(16-4-5-16)6-9-24(29)26-21/h6,9-13,15-16H,1-5,7-8,14H2
InChIKeyZKTPEORFZHWBMU-UHFFFAOYSA-N
XLogP3.55
TPSA77.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-(5-methoxy-2-methylsulfonylphenyl)propan-1-one
CID 160893149
1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(6R)-3-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-6-yl]triazole-4-carboxamide
CID 156661083
ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate
CID 139487437
ethane;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate
CID 156707965
1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazole-2,4-dicarboxylic acid
CID 156762651
N-[1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]ethyl]methanimine
CID 163697914
3-(3-chloro-4,6-dimethyl-1H-inden-5-yl)-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]propan-1-one
CID 160898430
1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid
CID 139487588
1-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide
CID 175752949
2-[[4-[3-(4-carbamimidoyl-2,6-dimethylphenyl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylic acid
CID 158175224
methyl 3-cyclopropyl-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate
CID 139487985
3-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanamide;3-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanoic acid
CID 158096855

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)propan-1-one?
The IUPAC name of 1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)propan-1-one (CID 159130518) is 1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)propan-1-one.
What is the SMILES notation for 1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)propan-1-one?
The canonical SMILES for 1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)propan-1-one is O=C(CCc1cc2c(cn1)CCC2)c1cn(Cc2cn3cc(C4CC4)ccc3n2)nn1.
What is the InChIKey of 1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)propan-1-one?
The InChIKey is ZKTPEORFZHWBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O/c31-23(8-7-20-10-17-2-1-3-18(17)11-25-20)22-15-30(28-27-22)14-21-13-29-12-19(16-4-5-16)6-9-24(29)26-21/h6,9-13,15-16H,1-5,7-8,14H2.
What are the key properties of 1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)propan-1-one?
1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)propan-1-one has a molecular weight of 412.50 g/mol, XLogP of 3.55, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)propan-1-one is sourced from PubChem (CID 159130518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).