2-(2,5-dimethylpiperazin-1-yl)-4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide

C21H26FN7O2 — CID 177108592

IUPAC2-(2,5-dimethylpiperazin-1-yl)-4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide
SMILESCCOc1nc(N2CC(C)NCC2C)ncc1C(=O)Nc1cc(F)c2nc(C)cn2c1
InChIInChI=1S/C21H26FN7O2/c1-5-31-20-16(8-24-21(27-20)29-10-12(2)23-7-14(29)4)19(30)26-15-6-17(22)18-25-13(3)9-28(18)11-15/h6,8-9,11-12,14,23H,5,7,10H2,1-4H3,(H,26,30)
InChIKeyATNQYDURQCQDAU-UHFFFAOYSA-N
MW427.48 g/mol
LogP2.41
Rot. Bonds5

About 2-(2,5-dimethylpiperazin-1-yl)-4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide

2-(2,5-dimethylpiperazin-1-yl)-4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide (PubChem CID 177108592) has the molecular formula C21H26FN7O2 and a molecular weight of 427.48 g/mol. Its IUPAC name is 2-(2,5-dimethylpiperazin-1-yl)-4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2,5-dimethylpiperazin-1-yl)-4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide
PubChem CID177108592
Molecular FormulaC21H26FN7O2
Molecular Weight427.48 g/mol
Exact Mass427.21
IUPAC Name2-(2,5-dimethylpiperazin-1-yl)-4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide
SMILESCCOc1nc(N2CC(C)NCC2C)ncc1C(=O)Nc1cc(F)c2nc(C)cn2c1
InChIInChI=1S/C21H26FN7O2/c1-5-31-20-16(8-24-21(27-20)29-10-12(2)23-7-14(29)4)19(30)26-15-6-17(22)18-25-13(3)9-28(18)11-15/h6,8-9,11-12,14,23H,5,7,10H2,1-4H3,(H,26,30)
InChIKeyATNQYDURQCQDAU-UHFFFAOYSA-N
XLogP2.41
TPSA96.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(3,9-diazabicyclo[3.3.2]decan-3-yl)-4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide
CID 177108575
4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[(3S)-3-propan-2-ylpiperazin-1-yl]pyrimidine-5-carboxamide
CID 177108754
4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(3-piperazin-1-ylpyrrolidin-1-yl)pyrimidine-5-carboxamide
CID 177108594
2-(4,7-diazaspiro[2.5]octan-7-yl)-4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide
CID 175897407
2-[(3S)-3-(2,2-difluoroethyl)piperazin-1-yl]-4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide;hydrochloride
CID 172551837
2-(5,8-diazaspiro[2.6]nonan-8-yl)-4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide
CID 177108694
2-(2,7-diazaspiro[4.5]decan-7-yl)-4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide
CID 177108717
4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)pyrimidine-5-carboxamide
CID 177108543
4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[methyl(piperidin-3-ylmethyl)amino]pyrimidine-5-carboxamide
CID 177108724
tert-butyl (2S)-2-(2,2-difluoroethyl)-4-[4-ethoxy-5-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]pyrimidin-2-yl]piperazine-1-carboxylate
CID 172551753
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-4-(3-methylpiperazin-1-yl)pyrazolo[4,3-c]pyridine-7-carboxamide
CID 167501520
4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazolo[4,3-c]pyridine-7-carboxamide
CID 167501526

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpiperazin-1-yl)-4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(2,5-dimethylpiperazin-1-yl)-4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide (CID 177108592) is 2-(2,5-dimethylpiperazin-1-yl)-4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2,5-dimethylpiperazin-1-yl)-4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(2,5-dimethylpiperazin-1-yl)-4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide is CCOc1nc(N2CC(C)NCC2C)ncc1C(=O)Nc1cc(F)c2nc(C)cn2c1.
What is the InChIKey of 2-(2,5-dimethylpiperazin-1-yl)-4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide?
The InChIKey is ATNQYDURQCQDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN7O2/c1-5-31-20-16(8-24-21(27-20)29-10-12(2)23-7-14(29)4)19(30)26-15-6-17(22)18-25-13(3)9-28(18)11-15/h6,8-9,11-12,14,23H,5,7,10H2,1-4H3,(H,26,30).
What are the key properties of 2-(2,5-dimethylpiperazin-1-yl)-4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide?
2-(2,5-dimethylpiperazin-1-yl)-4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide has a molecular weight of 427.48 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpiperazin-1-yl)-4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 177108592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).