1-[1-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-(3-fluoro-4-methoxy-2-pyridinyl)propan-1-one

C27H31FN8O2 — CID 159609721

IUPAC1-[1-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-(3-fluoro-4-methoxy-2-pyridinyl)propan-1-one
SMILESCOc1ccnc(CCC(=O)c2cn(Cc3cn4cc(C5CC5)cc(N5CCN(C)CC5)c4n3)nn2)c1F
InChIInChI=1S/C27H31FN8O2/c1-33-9-11-34(12-10-33)23-13-19(18-3-4-18)14-35-15-20(30-27(23)35)16-36-17-22(31-32-36)24(37)6-5-21-26(28)25(38-2)7-8-29-21/h7-8,13-15,17-18H,3-6,9-12,16H2,1-2H3
InChIKeyPGAOHWFYXYQYKC-UHFFFAOYSA-N
MW518.60 g/mol
LogP2.96
Rot. Bonds9

About 1-[1-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-(3-fluoro-4-methoxy-2-pyridinyl)propan-1-one

1-[1-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-(3-fluoro-4-methoxy-2-pyridinyl)propan-1-one (PubChem CID 159609721) has the molecular formula C27H31FN8O2 and a molecular weight of 518.60 g/mol. Its IUPAC name is 1-[1-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-(3-fluoro-4-methoxy-2-pyridinyl)propan-1-one.

Molecular Properties

Compound Name1-[1-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-(3-fluoro-4-methoxy-2-pyridinyl)propan-1-one
PubChem CID159609721
Molecular FormulaC27H31FN8O2
Molecular Weight518.60 g/mol
Exact Mass518.26
IUPAC Name1-[1-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-(3-fluoro-4-methoxy-2-pyridinyl)propan-1-one
SMILESCOc1ccnc(CCC(=O)c2cn(Cc3cn4cc(C5CC5)cc(N5CCN(C)CC5)c4n3)nn2)c1F
InChIInChI=1S/C27H31FN8O2/c1-33-9-11-34(12-10-33)23-13-19(18-3-4-18)14-35-15-20(30-27(23)35)16-36-17-22(31-32-36)24(37)6-5-21-26(28)25(38-2)7-8-29-21/h7-8,13-15,17-18H,3-6,9-12,16H2,1-2H3
InChIKeyPGAOHWFYXYQYKC-UHFFFAOYSA-N
XLogP2.96
TPSA93.68 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.60
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 1-[1-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-(3-fluoro-4-methoxy-2-pyridinyl)propan-1-one with MolForge

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Related Compounds

1-((6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl)methyl)-N-(3-fluoro-4-methoxypyridin-2-yl)methyl)-1H-1,2,3-triazole-4-carboxamide
CID 156152264
1-((6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl)-N-(2-fluoro-3-methoxy-6-(pyridazin-4-yl)benzyl)-1H-1,2,3-triazole-4-carboxamide
CID 156151855
1-((6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl)-N-(2-fluoro-3-methoxybenzyl)-1H-1,2,3-triazole-4-carboxamide
CID 156151937
1-((8-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl)-N-(2,6-difluoro-3-methoxybenzyl)-1H-1,2,3-triazole-4-carboxamide
CID 156152120
1-((6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl)-N-(2-fluoro-6-(imidazo[1,2-a]pyridin-2-yl)-3-methoxybenzyl)-1H-1,2,3-triazole-4-carboxamide
CID 156152140
1-((6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl)methyl)-N-((4-(difluoromethoxy)-3-fluoropyridin-2-yl))ethyl)-1H-1,2,3-triazole-4-carboxamide
CID 156152231
4-methoxypyridin-2-yl)methyl)-1H-1,2,3-triazole-4-carboxamide
CID 156152260
1-((6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl)-N-(2,6-difluoro-3-methoxybenzyl)-1H-1,2,3-triazole-4-carboxamide
CID 156152274
1-((6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl)-N-((3-fluoro-4-methoxypyridin-2-yl)methyl)-1H-1,2,3-triazole-4-carboxamide
CID 156152296
1-((6-cyclopropylimidazo[1,2-a]pyridin-2-yl) methyl)-N-(2-fluoro-3-methoxy-6-(1H-tetrazol-1-yl) benzyl)-N-methyl-1H-1,2,3-triazole-4-carboxamide
CID 156152037
1-((6-cyclopropyl-8-(4-(2,2,2-trifluoroethyl)piperazin-1-yl)imidazo[1,2-a]pyridin-2-yl)methyl)-N-((4-(difluoromethoxy)-3-fluoropyridin-2-yl)methyl)-1H-1,2,3-triazole-4-carboxamide
CID 156152300
N-((5-cyano-3-fluoro-2-methoxypyridin-4-yl)methyl)-1-((6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl)-1H-1,2,3-triazole-4-carboxamide
CID 156152311

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-(3-fluoro-4-methoxy-2-pyridinyl)propan-1-one?
The IUPAC name of 1-[1-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-(3-fluoro-4-methoxy-2-pyridinyl)propan-1-one (CID 159609721) is 1-[1-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-(3-fluoro-4-methoxy-2-pyridinyl)propan-1-one.
What is the SMILES notation for 1-[1-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-(3-fluoro-4-methoxy-2-pyridinyl)propan-1-one?
The canonical SMILES for 1-[1-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-(3-fluoro-4-methoxy-2-pyridinyl)propan-1-one is COc1ccnc(CCC(=O)c2cn(Cc3cn4cc(C5CC5)cc(N5CCN(C)CC5)c4n3)nn2)c1F.
What is the InChIKey of 1-[1-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-(3-fluoro-4-methoxy-2-pyridinyl)propan-1-one?
The InChIKey is PGAOHWFYXYQYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN8O2/c1-33-9-11-34(12-10-33)23-13-19(18-3-4-18)14-35-15-20(30-27(23)35)16-36-17-22(31-32-36)24(37)6-5-21-26(28)25(38-2)7-8-29-21/h7-8,13-15,17-18H,3-6,9-12,16H2,1-2H3.
What are the key properties of 1-[1-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-(3-fluoro-4-methoxy-2-pyridinyl)propan-1-one?
1-[1-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-(3-fluoro-4-methoxy-2-pyridinyl)propan-1-one has a molecular weight of 518.60 g/mol, XLogP of 2.96, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-(3-fluoro-4-methoxy-2-pyridinyl)propan-1-one is sourced from PubChem (CID 159609721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).