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

C23H28FN7O3 — CID 177108543

IUPAC4-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
SMILESCCOc1nc(N2CCC3(CC2)CNCCO3)ncc1C(=O)Nc1cc(F)c2nc(C)cn2c1
InChIInChI=1S/C23H28FN7O3/c1-3-33-21-17(20(32)28-16-10-18(24)19-27-15(2)12-31(19)13-16)11-26-22(29-21)30-7-4-23(5-8-30)14-25-6-9-34-23/h10-13,25H,3-9,14H2,1-2H3,(H,28,32)
InChIKeyJHDRSEMOXPIGHV-UHFFFAOYSA-N
MW469.52 g/mol
LogP2.18
Rot. Bonds5

About 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

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 (PubChem CID 177108543) has the molecular formula C23H28FN7O3 and a molecular weight of 469.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID177108543
Molecular FormulaC23H28FN7O3
Molecular Weight469.52 g/mol
Exact Mass469.22
IUPAC Name4-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
SMILESCCOc1nc(N2CCC3(CC2)CNCCO3)ncc1C(=O)Nc1cc(F)c2nc(C)cn2c1
InChIInChI=1S/C23H28FN7O3/c1-3-33-21-17(20(32)28-16-10-18(24)19-27-15(2)12-31(19)13-16)11-26-22(29-21)30-7-4-23(5-8-30)14-25-6-9-34-23/h10-13,25H,3-9,14H2,1-2H3,(H,28,32)
InChIKeyJHDRSEMOXPIGHV-UHFFFAOYSA-N
XLogP2.18
TPSA105.91 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.52
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

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
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
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
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
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-(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
2-(2,5-dimethylpiperazin-1-yl)-4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide
CID 177108592
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
2-(2,9-diazaspiro[4.5]decan-2-yl)-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-4-ethoxypyrimidine-5-carboxamide
CID 177108640
4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[methyl(piperidin-3-ylmethyl)amino]pyrimidine-5-carboxamide
CID 177108724
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 166848134

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCOc1nc(N2CCC3(CC2)CNCCO3)ncc1C(=O)Nc1cc(F)c2nc(C)cn2c1.
What is the InChIKey of 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?
The InChIKey is JHDRSEMOXPIGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN7O3/c1-3-33-21-17(20(32)28-16-10-18(24)19-27-15(2)12-31(19)13-16)11-26-22(29-21)30-7-4-23(5-8-30)14-25-6-9-34-23/h10-13,25H,3-9,14H2,1-2H3,(H,28,32).
What are the key properties of 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?
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 has a molecular weight of 469.52 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 177108543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).