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

C23H28FN7O2 — CID 177108575

IUPAC2-(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
SMILESCCOc1nc(N2CC3CCCC(C2)NC3)ncc1C(=O)Nc1cc(F)c2nc(C)cn2c1
InChIInChI=1S/C23H28FN7O2/c1-3-33-22-18(21(32)28-17-7-19(24)20-27-14(2)10-30(20)13-17)9-26-23(29-22)31-11-15-5-4-6-16(12-31)25-8-15/h7,9-10,13,15-16,25H,3-6,8,11-12H2,1-2H3,(H,28,32)
InChIKeyOQAKVEQNXLUYQX-UHFFFAOYSA-N
MW453.52 g/mol
LogP2.80
Rot. Bonds5

About 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

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 (PubChem CID 177108575) has the molecular formula C23H28FN7O2 and a molecular weight of 453.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID177108575
Molecular FormulaC23H28FN7O2
Molecular Weight453.52 g/mol
Exact Mass453.23
IUPAC Name2-(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
SMILESCCOc1nc(N2CC3CCCC(C2)NC3)ncc1C(=O)Nc1cc(F)c2nc(C)cn2c1
InChIInChI=1S/C23H28FN7O2/c1-3-33-22-18(21(32)28-17-7-19(24)20-27-14(2)10-30(20)13-17)9-26-23(29-22)31-11-15-5-4-6-16(12-31)25-8-15/h7,9-10,13,15-16,25H,3-6,8,11-12H2,1-2H3,(H,28,32)
InChIKeyOQAKVEQNXLUYQX-UHFFFAOYSA-N
XLogP2.80
TPSA96.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(2,5-dimethylpiperazin-1-yl)-4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide
CID 177108592
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-(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-(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
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
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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCOc1nc(N2CC3CCCC(C2)NC3)ncc1C(=O)Nc1cc(F)c2nc(C)cn2c1.
What is the InChIKey of 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?
The InChIKey is OQAKVEQNXLUYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN7O2/c1-3-33-22-18(21(32)28-17-7-19(24)20-27-14(2)10-30(20)13-17)9-26-23(29-22)31-11-15-5-4-6-16(12-31)25-8-15/h7,9-10,13,15-16,25H,3-6,8,11-12H2,1-2H3,(H,28,32).
What are the key properties of 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?
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 has a molecular weight of 453.52 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 177108575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).