N-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]pyrrolidin-3-yl]prop-2-enamide

C20H16ClF3N4O3 — CID 46864860

IUPACN-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]pyrrolidin-3-yl]prop-2-enamide
SMILESC=CC(=O)NC1CCN(C(=O)c2nc3c(C(F)(F)F)cc(-c4ccoc4)cn3c2Cl)C1
InChIInChI=1S/C20H16ClF3N4O3/c1-2-15(29)25-13-3-5-27(9-13)19(30)16-17(21)28-8-12(11-4-6-31-10-11)7-14(18(28)26-16)20(22,23)24/h2,4,6-8,10,13H,1,3,5,9H2,(H,25,29)
InChIKeyMSZFERRGAWKUBS-UHFFFAOYSA-N
MW452.82 g/mol
LogP3.78
Rot. Bonds4

About N-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]pyrrolidin-3-yl]prop-2-enamide

N-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]pyrrolidin-3-yl]prop-2-enamide (PubChem CID 46864860) has the molecular formula C20H16ClF3N4O3 and a molecular weight of 452.82 g/mol. Its IUPAC name is N-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]pyrrolidin-3-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]pyrrolidin-3-yl]prop-2-enamide
PubChem CID46864860
Molecular FormulaC20H16ClF3N4O3
Molecular Weight452.82 g/mol
Exact Mass452.09
IUPAC NameN-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]pyrrolidin-3-yl]prop-2-enamide
SMILESC=CC(=O)NC1CCN(C(=O)c2nc3c(C(F)(F)F)cc(-c4ccoc4)cn3c2Cl)C1
InChIInChI=1S/C20H16ClF3N4O3/c1-2-15(29)25-13-3-5-27(9-13)19(30)16-17(21)28-8-12(11-4-6-31-10-11)7-14(18(28)26-16)20(22,23)24/h2,4,6-8,10,13H,1,3,5,9H2,(H,25,29)
InChIKeyMSZFERRGAWKUBS-UHFFFAOYSA-N
XLogP3.78
TPSA79.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.82
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]pyrrolidin-3-yl]prop-2-enamide?
The IUPAC name of N-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]pyrrolidin-3-yl]prop-2-enamide (CID 46864860) is N-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]pyrrolidin-3-yl]prop-2-enamide.
What is the SMILES notation for N-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]pyrrolidin-3-yl]prop-2-enamide?
The canonical SMILES for N-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]pyrrolidin-3-yl]prop-2-enamide is C=CC(=O)NC1CCN(C(=O)c2nc3c(C(F)(F)F)cc(-c4ccoc4)cn3c2Cl)C1.
What is the InChIKey of N-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]pyrrolidin-3-yl]prop-2-enamide?
The InChIKey is MSZFERRGAWKUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF3N4O3/c1-2-15(29)25-13-3-5-27(9-13)19(30)16-17(21)28-8-12(11-4-6-31-10-11)7-14(18(28)26-16)20(22,23)24/h2,4,6-8,10,13H,1,3,5,9H2,(H,25,29).
What are the key properties of N-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]pyrrolidin-3-yl]prop-2-enamide?
N-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]pyrrolidin-3-yl]prop-2-enamide has a molecular weight of 452.82 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]pyrrolidin-3-yl]prop-2-enamide is sourced from PubChem (CID 46864860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).