N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-[2-(7-ethoxyimidazo[1,2-a]pyridin-2-yl)ethenyl]pyridine-4-carboxamide

C24H22F2N6O3 — CID 150742116

IUPACN-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-[2-(7-ethoxyimidazo[1,2-a]pyridin-2-yl)ethenyl]pyridine-4-carboxamide
SMILESCCOc1ccn2cc(C=Cc3cnccc3C(=O)NCC(=O)N3CC(F)(F)CC3C#N)nc2c1
InChIInChI=1S/C24H22F2N6O3/c1-2-35-19-6-8-31-14-17(30-21(31)9-19)4-3-16-12-28-7-5-20(16)23(34)29-13-22(33)32-15-24(25,26)10-18(32)11-27/h3-9,12,14,18H,2,10,13,15H2,1H3,(H,29,34)
InChIKeyJUBQOUGHGGVWQG-UHFFFAOYSA-N
MW480.48 g/mol
LogP2.79
Rot. Bonds7

About N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-[2-(7-ethoxyimidazo[1,2-a]pyridin-2-yl)ethenyl]pyridine-4-carboxamide

N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-[2-(7-ethoxyimidazo[1,2-a]pyridin-2-yl)ethenyl]pyridine-4-carboxamide (PubChem CID 150742116) has the molecular formula C24H22F2N6O3 and a molecular weight of 480.48 g/mol. Its IUPAC name is N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-[2-(7-ethoxyimidazo[1,2-a]pyridin-2-yl)ethenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-[2-(7-ethoxyimidazo[1,2-a]pyridin-2-yl)ethenyl]pyridine-4-carboxamide
PubChem CID150742116
Molecular FormulaC24H22F2N6O3
Molecular Weight480.48 g/mol
Exact Mass480.17
IUPAC NameN-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-[2-(7-ethoxyimidazo[1,2-a]pyridin-2-yl)ethenyl]pyridine-4-carboxamide
SMILESCCOc1ccn2cc(C=Cc3cnccc3C(=O)NCC(=O)N3CC(F)(F)CC3C#N)nc2c1
InChIInChI=1S/C24H22F2N6O3/c1-2-35-19-6-8-31-14-17(30-21(31)9-19)4-3-16-12-28-7-5-20(16)23(34)29-13-22(33)32-15-24(25,26)10-18(32)11-27/h3-9,12,14,18H,2,10,13,15H2,1H3,(H,29,34)
InChIKeyJUBQOUGHGGVWQG-UHFFFAOYSA-N
XLogP2.79
TPSA112.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.48
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-[(E)-2-(7-ethoxyimidazo[1,2-a]pyridin-2-yl)ethenyl]pyridine-4-carboxamide
CID 154976237
(2S)-1-[4-[3-[(E)-2-(7-ethoxyimidazo[1,2-a]pyridin-2-yl)ethenyl]-4-pyridinyl]-4-oxobutanoyl]-4,4-difluoropyrrolidine-2-carbonitrile
CID 160514335
N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-3-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]pyridine-4-carboxamide
CID 154979426
N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-[(E)-2-(5-methoxy-1-benzofuran-2-yl)ethenyl]pyridine-4-carboxamide
CID 154976157
3-[(E)-2-(4-chlorophenyl)ethenyl]-N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]pyridine-4-carboxamide
CID 154976208
3-[(E)-2-(1-benzofuran-2-yl)ethenyl]-N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]pyridine-4-carboxamide
CID 154966335
N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-(diethylamino)pyridine-4-carboxamide
CID 138683753
N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-[(E)-2-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)ethenyl]pyridine-4-carboxamide
CID 154976143
N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-[(E)-2-[4-(trifluoromethyl)phenyl]prop-1-enyl]pyridine-4-carboxamide
CID 154976259
N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-(2-ethylphenyl)pyridine-4-carboxamide
CID 138683926
N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-[(E)-2-(6-methyl-2,3-dihydro-1,3-benzothiazol-2-yl)ethenyl]pyridine-4-carboxamide
CID 154976249
N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-(2-hydroxycyclopropyl)pyridine-4-carboxamide
CID 138683834

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-[2-(7-ethoxyimidazo[1,2-a]pyridin-2-yl)ethenyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-[2-(7-ethoxyimidazo[1,2-a]pyridin-2-yl)ethenyl]pyridine-4-carboxamide (CID 150742116) is N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-[2-(7-ethoxyimidazo[1,2-a]pyridin-2-yl)ethenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-[2-(7-ethoxyimidazo[1,2-a]pyridin-2-yl)ethenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-[2-(7-ethoxyimidazo[1,2-a]pyridin-2-yl)ethenyl]pyridine-4-carboxamide is CCOc1ccn2cc(C=Cc3cnccc3C(=O)NCC(=O)N3CC(F)(F)CC3C#N)nc2c1.
What is the InChIKey of N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-[2-(7-ethoxyimidazo[1,2-a]pyridin-2-yl)ethenyl]pyridine-4-carboxamide?
The InChIKey is JUBQOUGHGGVWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N6O3/c1-2-35-19-6-8-31-14-17(30-21(31)9-19)4-3-16-12-28-7-5-20(16)23(34)29-13-22(33)32-15-24(25,26)10-18(32)11-27/h3-9,12,14,18H,2,10,13,15H2,1H3,(H,29,34).
What are the key properties of N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-[2-(7-ethoxyimidazo[1,2-a]pyridin-2-yl)ethenyl]pyridine-4-carboxamide?
N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-[2-(7-ethoxyimidazo[1,2-a]pyridin-2-yl)ethenyl]pyridine-4-carboxamide has a molecular weight of 480.48 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-[2-(7-ethoxyimidazo[1,2-a]pyridin-2-yl)ethenyl]pyridine-4-carboxamide is sourced from PubChem (CID 150742116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).