4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(3-piperazin-1-ylpyrrolidin-1-yl)pyrimidine-5-carboxamide

C23H29FN8O2 — CID 177108594

IUPAC4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(3-piperazin-1-ylpyrrolidin-1-yl)pyrimidine-5-carboxamide
SMILESCCOc1nc(N2CCC(N3CCNCC3)C2)ncc1C(=O)Nc1cc(F)c2nc(C)cn2c1
InChIInChI=1S/C23H29FN8O2/c1-3-34-22-18(21(33)28-16-10-19(24)20-27-15(2)12-32(20)13-16)11-26-23(29-22)31-7-4-17(14-31)30-8-5-25-6-9-30/h10-13,17,25H,3-9,14H2,1-2H3,(H,28,33)
InChIKeyNLYFPLMUTLQQQP-UHFFFAOYSA-N
MW468.54 g/mol
LogP1.71
Rot. Bonds6

About 4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(3-piperazin-1-ylpyrrolidin-1-yl)pyrimidine-5-carboxamide

4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(3-piperazin-1-ylpyrrolidin-1-yl)pyrimidine-5-carboxamide (PubChem CID 177108594) has the molecular formula C23H29FN8O2 and a molecular weight of 468.54 g/mol. Its IUPAC name is 4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(3-piperazin-1-ylpyrrolidin-1-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(3-piperazin-1-ylpyrrolidin-1-yl)pyrimidine-5-carboxamide
PubChem CID177108594
Molecular FormulaC23H29FN8O2
Molecular Weight468.54 g/mol
Exact Mass468.24
IUPAC Name4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(3-piperazin-1-ylpyrrolidin-1-yl)pyrimidine-5-carboxamide
SMILESCCOc1nc(N2CCC(N3CCNCC3)C2)ncc1C(=O)Nc1cc(F)c2nc(C)cn2c1
InChIInChI=1S/C23H29FN8O2/c1-3-34-22-18(21(33)28-16-10-19(24)20-27-15(2)12-32(20)13-16)11-26-23(29-22)31-7-4-17(14-31)30-8-5-25-6-9-30/h10-13,17,25H,3-9,14H2,1-2H3,(H,28,33)
InChIKeyNLYFPLMUTLQQQP-UHFFFAOYSA-N
XLogP1.71
TPSA99.92 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.54
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(3-piperazin-1-ylpyrrolidin-1-yl)pyrimidine-5-carboxamide with MolForge

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Related Compounds

N-(6-(4-Isopropyl-4H-1,2,4-triazol-3-yl)pyridin-2-yl)-3-methoxy-1-(pyrazin-2-yl)-1H-pyrazole-4-carboxamide
CID 146027049
3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-pyridin-3-ylpyrazole-4-carboxamide
CID 146381295
3-methoxy-1-pyrazin-2-yl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide
CID 146381371
3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-pyrimidin-5-ylpyrazole-4-carboxamide
CID 146381377
1-[5-(dimethylamino)-3-pyridinyl]-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide
CID 146381598
N-((3S,4S)-4-fluoropiperidin-3-yl)-4-(7-isopropoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine
CID 167450061
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide
CID 166508014
US10174049, Example 14
CID 74763293
US10385066, Example 15
CID 146676286
US10385066, Example 27
CID 146676287
US20250346593, Example 251
CID 170616397
US20250346593, Example 248
CID 170616529

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(3-piperazin-1-ylpyrrolidin-1-yl)pyrimidine-5-carboxamide?
The IUPAC name of 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) is 4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(3-piperazin-1-ylpyrrolidin-1-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(3-piperazin-1-ylpyrrolidin-1-yl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(3-piperazin-1-ylpyrrolidin-1-yl)pyrimidine-5-carboxamide is CCOc1nc(N2CCC(N3CCNCC3)C2)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-(3-piperazin-1-ylpyrrolidin-1-yl)pyrimidine-5-carboxamide?
The InChIKey is NLYFPLMUTLQQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN8O2/c1-3-34-22-18(21(33)28-16-10-19(24)20-27-15(2)12-32(20)13-16)11-26-23(29-22)31-7-4-17(14-31)30-8-5-25-6-9-30/h10-13,17,25H,3-9,14H2,1-2H3,(H,28,33).
What are the key properties of 4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(3-piperazin-1-ylpyrrolidin-1-yl)pyrimidine-5-carboxamide?
4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(3-piperazin-1-ylpyrrolidin-1-yl)pyrimidine-5-carboxamide has a molecular weight of 468.54 g/mol, XLogP of 1.71, 6 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-(3-piperazin-1-ylpyrrolidin-1-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 177108594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).