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

C17H14ClF3N4O2 — CID 68729034

IUPAC(3-aminopyrrolidin-1-yl)-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone
SMILESNC1CCN(C(=O)c2nc3c(C(F)(F)F)cc(-c4ccoc4)cn3c2Cl)C1
InChIInChI=1S/C17H14ClF3N4O2/c18-14-13(16(26)24-3-1-11(22)7-24)23-15-12(17(19,20)21)5-10(6-25(14)15)9-2-4-27-8-9/h2,4-6,8,11H,1,3,7,22H2
InChIKeyUYVIPPDTNTVMTG-UHFFFAOYSA-N
MW398.77 g/mol
LogP3.44
Rot. Bonds2

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

(3-aminopyrrolidin-1-yl)-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone (PubChem CID 68729034) has the molecular formula C17H14ClF3N4O2 and a molecular weight of 398.77 g/mol. Its IUPAC name is (3-aminopyrrolidin-1-yl)-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone.

Molecular Properties

Compound Name(3-aminopyrrolidin-1-yl)-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone
PubChem CID68729034
Molecular FormulaC17H14ClF3N4O2
Molecular Weight398.77 g/mol
Exact Mass398.08
IUPAC Name(3-aminopyrrolidin-1-yl)-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone
SMILESNC1CCN(C(=O)c2nc3c(C(F)(F)F)cc(-c4ccoc4)cn3c2Cl)C1
InChIInChI=1S/C17H14ClF3N4O2/c18-14-13(16(26)24-3-1-11(22)7-24)23-15-12(17(19,20)21)5-10(6-25(14)15)9-2-4-27-8-9/h2,4-6,8,11H,1,3,7,22H2
InChIKeyUYVIPPDTNTVMTG-UHFFFAOYSA-N
XLogP3.44
TPSA76.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.77
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 59443786
3-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 46870987
N-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]methanesulfonamide
CID 59443937
2-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]benzonitrile
CID 68743738
3-[(3S,4R)-1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-3-methylpiperidin-4-yl]-1,3-oxazolidin-2-one;3-[(3R,4R)-1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-3-methylpiperidin-4-yl]-1,3-oxazolidin-2-one;3-[(3S,4S)-1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-3-methylpiperidin-4-yl]-1,3-oxazolidin-2-one;3-[(3R,4S)-1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-3-methylpiperidin-4-yl]-1,3-oxazolidin-2-one
CID 162082779
3-[(3S,4S)-1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-3-methylpiperidin-4-yl]-1,3-oxazolidin-2-one
CID 59547270
4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclobutylpiperazin-2-one
CID 51357841
3-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-4-hydroxy-5-methyl-1,3-oxazol-2-one
CID 91158882
4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-propan-2-ylpiperazin-2-one
CID 51357842
3-[[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]azetidine-1-carboxylic acid
CID 140539148
4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(2-fluorophenyl)piperazin-2-one
CID 51357289
4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(3,4-difluorohepta-2,4-dienyl)piperazin-2-one
CID 123602392

Frequently Asked Questions

What is the IUPAC name of (3-aminopyrrolidin-1-yl)-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone?
The IUPAC name of (3-aminopyrrolidin-1-yl)-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone (CID 68729034) is (3-aminopyrrolidin-1-yl)-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone.
What is the SMILES notation for (3-aminopyrrolidin-1-yl)-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone?
The canonical SMILES for (3-aminopyrrolidin-1-yl)-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone is NC1CCN(C(=O)c2nc3c(C(F)(F)F)cc(-c4ccoc4)cn3c2Cl)C1.
What is the InChIKey of (3-aminopyrrolidin-1-yl)-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone?
The InChIKey is UYVIPPDTNTVMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF3N4O2/c18-14-13(16(26)24-3-1-11(22)7-24)23-15-12(17(19,20)21)5-10(6-25(14)15)9-2-4-27-8-9/h2,4-6,8,11H,1,3,7,22H2.
What are the key properties of (3-aminopyrrolidin-1-yl)-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone?
(3-aminopyrrolidin-1-yl)-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone has a molecular weight of 398.77 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopyrrolidin-1-yl)-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone is sourced from PubChem (CID 68729034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).