[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(4-methoxyanilino)pyrrolidin-1-yl]methanone

C24H20ClF3N4O3 — CID 46864863

IUPAC[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(4-methoxyanilino)pyrrolidin-1-yl]methanone
SMILESCOc1ccc(NC2CCN(C(=O)c3nc4c(C(F)(F)F)cc(-c5ccoc5)cn4c3Cl)C2)cc1
InChIInChI=1S/C24H20ClF3N4O3/c1-34-18-4-2-16(3-5-18)29-17-6-8-31(12-17)23(33)20-21(25)32-11-15(14-7-9-35-13-14)10-19(22(32)30-20)24(26,27)28/h2-5,7,9-11,13,17,29H,6,8,12H2,1H3
InChIKeyHUKONRCPVCRSQF-UHFFFAOYSA-N
MW504.90 g/mol
LogP5.60
Rot. Bonds5

About [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(4-methoxyanilino)pyrrolidin-1-yl]methanone

[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(4-methoxyanilino)pyrrolidin-1-yl]methanone (PubChem CID 46864863) has the molecular formula C24H20ClF3N4O3 and a molecular weight of 504.90 g/mol. Its IUPAC name is [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(4-methoxyanilino)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(4-methoxyanilino)pyrrolidin-1-yl]methanone
PubChem CID46864863
Molecular FormulaC24H20ClF3N4O3
Molecular Weight504.90 g/mol
Exact Mass504.12
IUPAC Name[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(4-methoxyanilino)pyrrolidin-1-yl]methanone
SMILESCOc1ccc(NC2CCN(C(=O)c3nc4c(C(F)(F)F)cc(-c5ccoc5)cn4c3Cl)C2)cc1
InChIInChI=1S/C24H20ClF3N4O3/c1-34-18-4-2-16(3-5-18)29-17-6-8-31(12-17)23(33)20-21(25)32-11-15(14-7-9-35-13-14)10-19(22(32)30-20)24(26,27)28/h2-5,7,9-11,13,17,29H,6,8,12H2,1H3
InChIKeyHUKONRCPVCRSQF-UHFFFAOYSA-N
XLogP5.60
TPSA72.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.90
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(4-methoxyanilino)pyrrolidin-1-yl]methanone?
The IUPAC name of [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(4-methoxyanilino)pyrrolidin-1-yl]methanone (CID 46864863) is [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(4-methoxyanilino)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(4-methoxyanilino)pyrrolidin-1-yl]methanone?
The canonical SMILES for [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(4-methoxyanilino)pyrrolidin-1-yl]methanone is COc1ccc(NC2CCN(C(=O)c3nc4c(C(F)(F)F)cc(-c5ccoc5)cn4c3Cl)C2)cc1.
What is the InChIKey of [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(4-methoxyanilino)pyrrolidin-1-yl]methanone?
The InChIKey is HUKONRCPVCRSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClF3N4O3/c1-34-18-4-2-16(3-5-18)29-17-6-8-31(12-17)23(33)20-21(25)32-11-15(14-7-9-35-13-14)10-19(22(32)30-20)24(26,27)28/h2-5,7,9-11,13,17,29H,6,8,12H2,1H3.
What are the key properties of [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(4-methoxyanilino)pyrrolidin-1-yl]methanone?
[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(4-methoxyanilino)pyrrolidin-1-yl]methanone has a molecular weight of 504.90 g/mol, XLogP of 5.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(4-methoxyanilino)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 46864863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).