[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-4-thiophen-3-ylpyrrolidin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone

C28H29FN4OS — CID 20694377

IUPAC[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-4-thiophen-3-ylpyrrolidin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone
SMILESO=C(c1cccn2ccnc12)N1CC(CN2CCC(c3ccc(F)cc3)CC2)C(c2ccsc2)C1
InChIInChI=1S/C28H29FN4OS/c29-24-5-3-20(4-6-24)21-7-12-31(13-8-21)16-23-17-33(18-26(23)22-9-15-35-19-22)28(34)25-2-1-11-32-14-10-30-27(25)32/h1-6,9-11,14-15,19,21,23,26H,7-8,12-13,16-18H2
InChIKeyQWNRBFIOVJWKID-UHFFFAOYSA-N
MW488.63 g/mol
LogP5.27
Rot. Bonds5

About [3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-4-thiophen-3-ylpyrrolidin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone

[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-4-thiophen-3-ylpyrrolidin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone (PubChem CID 20694377) has the molecular formula C28H29FN4OS and a molecular weight of 488.63 g/mol. Its IUPAC name is [3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-4-thiophen-3-ylpyrrolidin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone.

Molecular Properties

Compound Name[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-4-thiophen-3-ylpyrrolidin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone
PubChem CID20694377
Molecular FormulaC28H29FN4OS
Molecular Weight488.63 g/mol
Exact Mass488.20
IUPAC Name[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-4-thiophen-3-ylpyrrolidin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone
SMILESO=C(c1cccn2ccnc12)N1CC(CN2CCC(c3ccc(F)cc3)CC2)C(c2ccsc2)C1
InChIInChI=1S/C28H29FN4OS/c29-24-5-3-20(4-6-24)21-7-12-31(13-8-21)16-23-17-33(18-26(23)22-9-15-35-19-22)28(34)25-2-1-11-32-14-10-30-27(25)32/h1-6,9-11,14-15,19,21,23,26H,7-8,12-13,16-18H2
InChIKeyQWNRBFIOVJWKID-UHFFFAOYSA-N
XLogP5.27
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.63
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Aminoimidazo[1,2-a]pyridine deriv. 39
CID 5330636
3-[(3-fluorophenyl)methyl]-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)thieno[2,3-d]pyrimidin-4-one
CID 156018235
N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)thiophene-2-carboxamide
CID 695176
3-Pyridinecarboxamide, N-[5-(3-thienyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-
CID 9858254
(4-(2,4-Difluorophenethyl)piperazin-1-yl)(imidazo[1,2-alpha]pyridin-8-yl)methanone
CID 42606928
N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-4-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxamide
CID 67123042
1-[(2S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-thiophen-3-ylethanone
CID 117991137
1-propan-2-yl-N-pyridin-3-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide
CID 137638641
N-(3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl)thiophene-2-carboxamide
CID 752234
US9776991, Example 15
CID 118112602
N-(6-(2-(4-fluorophenyl) imidazo[1,2-a]pyridin-3-yl) imidazo[1,2-b]pyridazin-2-yl)-5-(thiophen-2-yl) nicotinamide
CID 118538746
N-[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]thiophene-2-carboxamide
CID 1442508

Frequently Asked Questions

What is the IUPAC name of [3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-4-thiophen-3-ylpyrrolidin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone?
The IUPAC name of [3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-4-thiophen-3-ylpyrrolidin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone (CID 20694377) is [3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-4-thiophen-3-ylpyrrolidin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone.
What is the SMILES notation for [3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-4-thiophen-3-ylpyrrolidin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone?
The canonical SMILES for [3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-4-thiophen-3-ylpyrrolidin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone is O=C(c1cccn2ccnc12)N1CC(CN2CCC(c3ccc(F)cc3)CC2)C(c2ccsc2)C1.
What is the InChIKey of [3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-4-thiophen-3-ylpyrrolidin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone?
The InChIKey is QWNRBFIOVJWKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN4OS/c29-24-5-3-20(4-6-24)21-7-12-31(13-8-21)16-23-17-33(18-26(23)22-9-15-35-19-22)28(34)25-2-1-11-32-14-10-30-27(25)32/h1-6,9-11,14-15,19,21,23,26H,7-8,12-13,16-18H2.
What are the key properties of [3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-4-thiophen-3-ylpyrrolidin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone?
[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-4-thiophen-3-ylpyrrolidin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone has a molecular weight of 488.63 g/mol, XLogP of 5.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-4-thiophen-3-ylpyrrolidin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone is sourced from PubChem (CID 20694377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).