4-ethyl-1-[6-[[5-fluoro-4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperazin-2-one

C26H29FN8O2 — CID 167605122

IUPAC4-ethyl-1-[6-[[5-fluoro-4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperazin-2-one
SMILESCCN1CCN(c2ccc(Cc3ncc(F)c(-c4cc5c(ncn5C(C)C)c(OC)n4)n3)nc2)C(=O)C1
InChIInChI=1S/C26H29FN8O2/c1-5-33-8-9-34(23(36)14-33)18-7-6-17(28-12-18)10-22-29-13-19(27)24(32-22)20-11-21-25(26(31-20)37-4)30-15-35(21)16(2)3/h6-7,11-13,15-16H,5,8-10,14H2,1-4H3
InChIKeyKGWJZCSQPXEELA-UHFFFAOYSA-N
MW504.57 g/mol
LogP3.27
Rot. Bonds7

About 4-ethyl-1-[6-[[5-fluoro-4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperazin-2-one

4-ethyl-1-[6-[[5-fluoro-4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperazin-2-one (PubChem CID 167605122) has the molecular formula C26H29FN8O2 and a molecular weight of 504.57 g/mol. Its IUPAC name is 4-ethyl-1-[6-[[5-fluoro-4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperazin-2-one.

Molecular Properties

Compound Name4-ethyl-1-[6-[[5-fluoro-4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperazin-2-one
PubChem CID167605122
Molecular FormulaC26H29FN8O2
Molecular Weight504.57 g/mol
Exact Mass504.24
IUPAC Name4-ethyl-1-[6-[[5-fluoro-4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperazin-2-one
SMILESCCN1CCN(c2ccc(Cc3ncc(F)c(-c4cc5c(ncn5C(C)C)c(OC)n4)n3)nc2)C(=O)C1
InChIInChI=1S/C26H29FN8O2/c1-5-33-8-9-34(23(36)14-33)18-7-6-17(28-12-18)10-22-29-13-19(27)24(32-22)20-11-21-25(26(31-20)37-4)30-15-35(21)16(2)3/h6-7,11-13,15-16H,5,8-10,14H2,1-4H3
InChIKeyKGWJZCSQPXEELA-UHFFFAOYSA-N
XLogP3.27
TPSA102.16 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.57
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-ethyl-1-[6-[[5-fluoro-4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperazin-2-one with MolForge

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Related Compounds

2-(2-methoxy-N-methylanilino)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]ethanone
CID 10763921
3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(5-fluoro-6-methoxy-3-pyridinyl)-6-[4-(2-methoxyethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-amine
CID 49835172
1-[4-[4-[(5-Fluoro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
CID 56673688
1-[4-[4-[(4-Imidazo[1,2-a]pyridin-3-yl-5-methoxypyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
CID 56673689
4-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]imidazo[1,2-a]pyridin-6-yl]-N,N-dimethylpiperazine-1-carboxamide
CID 66790135
4-{5-[3-(4-Fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-6-methoxypyridin-2-yl}morpholine
CID 86269400
[(3S,4S)-1-(7-methoxy-1,5-naphthyridin-4-yl)-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 134276028
US10336761, Example 105
CID 135262403
US10703755, Example 327
CID 138701021
5-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-[3-(trifluoromethoxy)pyridin-2-yl]piperidin-2-yl]imidazo[1,2-a]pyridine
CID 145424505
4-[4-[2-(Difluoromethyl)-7-methoxyimidazo[4,5-c]pyridin-3-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
CID 56595026
8-Ethyl-6-methoxy-4-phenyl-1,5-diaza-8-azoniatricyclo[7.4.0.02,7]trideca-2,4,6,8,10,12-hexaene iodide
CID 164622946

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[6-[[5-fluoro-4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperazin-2-one?
The IUPAC name of 4-ethyl-1-[6-[[5-fluoro-4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperazin-2-one (CID 167605122) is 4-ethyl-1-[6-[[5-fluoro-4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperazin-2-one.
What is the SMILES notation for 4-ethyl-1-[6-[[5-fluoro-4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperazin-2-one?
The canonical SMILES for 4-ethyl-1-[6-[[5-fluoro-4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperazin-2-one is CCN1CCN(c2ccc(Cc3ncc(F)c(-c4cc5c(ncn5C(C)C)c(OC)n4)n3)nc2)C(=O)C1.
What is the InChIKey of 4-ethyl-1-[6-[[5-fluoro-4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperazin-2-one?
The InChIKey is KGWJZCSQPXEELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN8O2/c1-5-33-8-9-34(23(36)14-33)18-7-6-17(28-12-18)10-22-29-13-19(27)24(32-22)20-11-21-25(26(31-20)37-4)30-15-35(21)16(2)3/h6-7,11-13,15-16H,5,8-10,14H2,1-4H3.
What are the key properties of 4-ethyl-1-[6-[[5-fluoro-4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperazin-2-one?
4-ethyl-1-[6-[[5-fluoro-4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperazin-2-one has a molecular weight of 504.57 g/mol, XLogP of 3.27, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[6-[[5-fluoro-4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperazin-2-one is sourced from PubChem (CID 167605122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).