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

C24H31FN8O2 — CID 177108713

IUPAC4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(3-piperazin-1-ylpiperidin-1-yl)pyrimidine-5-carboxamide
SMILESCCOc1nc(N2CCCC(N3CCNCC3)C2)ncc1C(=O)Nc1cc(F)c2nc(C)cn2c1
InChIInChI=1S/C24H31FN8O2/c1-3-35-23-19(22(34)29-17-11-20(25)21-28-16(2)13-33(21)14-17)12-27-24(30-23)32-8-4-5-18(15-32)31-9-6-26-7-10-31/h11-14,18,26H,3-10,15H2,1-2H3,(H,29,34)
InChIKeyMPSYVSWXJXVVFC-UHFFFAOYSA-N
MW482.56 g/mol
LogP2.10
Rot. Bonds6

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

4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(3-piperazin-1-ylpiperidin-1-yl)pyrimidine-5-carboxamide (PubChem CID 177108713) has the molecular formula C24H31FN8O2 and a molecular weight of 482.56 g/mol. Its IUPAC name is 4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(3-piperazin-1-ylpiperidin-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-ylpiperidin-1-yl)pyrimidine-5-carboxamide
PubChem CID177108713
Molecular FormulaC24H31FN8O2
Molecular Weight482.56 g/mol
Exact Mass482.26
IUPAC Name4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(3-piperazin-1-ylpiperidin-1-yl)pyrimidine-5-carboxamide
SMILESCCOc1nc(N2CCCC(N3CCNCC3)C2)ncc1C(=O)Nc1cc(F)c2nc(C)cn2c1
InChIInChI=1S/C24H31FN8O2/c1-3-35-23-19(22(34)29-17-11-20(25)21-28-16(2)13-33(21)14-17)12-27-24(30-23)32-8-4-5-18(15-32)31-9-6-26-7-10-31/h11-14,18,26H,3-10,15H2,1-2H3,(H,29,34)
InChIKeyMPSYVSWXJXVVFC-UHFFFAOYSA-N
XLogP2.10
TPSA99.92 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.56
LogP ≤ 52.10
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-ylpiperidin-1-yl)pyrimidine-5-carboxamide with MolForge

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Related Compounds

(4-(1H-benzo[d]imidazol-2-yl)piperidin-1-yl)(4-ethoxy-2-phenylpyrimidin-5-yl)methanone
CID 44565607
N-((3S,4S)-4-fluoropiperidin-3-yl)-4-(7-isopropoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine
CID 167450061
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
N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-7-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyimidazo[1,2-a]pyridine-2-carboxamide
CID 44469397
[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-pyrimidin-5-ylmethanone
CID 53260783
(R)-ethyl 4-(1-(2-cyanoacetyl)piperidin-3-ylamino)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carboxylate
CID 53260797
3-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxy-5-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile
CID 53260937
N-piperidin-4-yl-7-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyimidazo[1,2-a]pyridine-2-carboxamide
CID 57951068

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-ylpiperidin-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-ylpiperidin-1-yl)pyrimidine-5-carboxamide (CID 177108713) is 4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(3-piperazin-1-ylpiperidin-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-ylpiperidin-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-ylpiperidin-1-yl)pyrimidine-5-carboxamide is CCOc1nc(N2CCCC(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-ylpiperidin-1-yl)pyrimidine-5-carboxamide?
The InChIKey is MPSYVSWXJXVVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN8O2/c1-3-35-23-19(22(34)29-17-11-20(25)21-28-16(2)13-33(21)14-17)12-27-24(30-23)32-8-4-5-18(15-32)31-9-6-26-7-10-31/h11-14,18,26H,3-10,15H2,1-2H3,(H,29,34).
What are the key properties of 4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(3-piperazin-1-ylpiperidin-1-yl)pyrimidine-5-carboxamide?
4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(3-piperazin-1-ylpiperidin-1-yl)pyrimidine-5-carboxamide has a molecular weight of 482.56 g/mol, XLogP of 2.10, 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-ylpiperidin-1-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 177108713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).