6-chloro-3-fluoro-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide

C17H21ClFN5O2 — CID 166617843

IUPAC6-chloro-3-fluoro-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCNC(=O)C[C@H]1CC[C@@H](CNC(=O)c2nc3ccc(Cl)cn3c2F)N1C
InChIInChI=1S/C17H21ClFN5O2/c1-20-14(25)7-11-4-5-12(23(11)2)8-21-17(26)15-16(19)24-9-10(18)3-6-13(24)22-15/h3,6,9,11-12H,4-5,7-8H2,1-2H3,(H,20,25)(H,21,26)/t11-,12+/m1/s1
InChIKeyNBMNTBWOJXECHD-NEPJUHHUSA-N
MW381.84 g/mol
LogP1.46
Rot. Bonds5

About 6-chloro-3-fluoro-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide

6-chloro-3-fluoro-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 166617843) has the molecular formula C17H21ClFN5O2 and a molecular weight of 381.84 g/mol. Its IUPAC name is 6-chloro-3-fluoro-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-3-fluoro-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID166617843
Molecular FormulaC17H21ClFN5O2
Molecular Weight381.84 g/mol
Exact Mass381.14
IUPAC Name6-chloro-3-fluoro-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCNC(=O)C[C@H]1CC[C@@H](CNC(=O)c2nc3ccc(Cl)cn3c2F)N1C
InChIInChI=1S/C17H21ClFN5O2/c1-20-14(25)7-11-4-5-12(23(11)2)8-21-17(26)15-16(19)24-9-10(18)3-6-13(24)22-15/h3,6,9,11-12H,4-5,7-8H2,1-2H3,(H,20,25)(H,21,26)/t11-,12+/m1/s1
InChIKeyNBMNTBWOJXECHD-NEPJUHHUSA-N
XLogP1.46
TPSA78.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.84
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-chloro-3-fluoro-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide with MolForge

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Related Compounds

1-tert-butyl-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]pyrrole-3-carboxamide
CID 166617246
5-(difluoromethyl)-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-1H-pyrazole-3-carboxamide
CID 165425531
N-methyl-2-[(2R,5S)-1-methyl-5-[[(2-pyridin-3-ylacetyl)amino]methyl]pyrrolidin-2-yl]acetamide
CID 165422911
N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 165422149
N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide
CID 166613163
4-methyl-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 165427073
(6-chloro-3-fluoroimidazo[1,2-a]pyridin-2-yl)-[(1R,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone
CID 72932163
6-chloro-3-fluoro-N-[(2R)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 99938199
1-(6-chloro-3-fluoroimidazo[1,2-a]pyridine-2-carbonyl)-N,N-diethylpiperidine-3-carboxamide
CID 77087302
(6-chloro-3-fluoroimidazo[1,2-a]pyridin-2-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 157018467
4-chloro-2-hydroxy-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]benzamide
CID 171386005
2-[(2S,5R)-5-(acetamidomethyl)-1-methylpyrrolidin-2-yl]-N-[2-(2-fluorophenoxy)ethyl]acetamide
CID 166615503

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-fluoro-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-3-fluoro-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 166617843) is 6-chloro-3-fluoro-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-3-fluoro-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-3-fluoro-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide is CNC(=O)C[C@H]1CC[C@@H](CNC(=O)c2nc3ccc(Cl)cn3c2F)N1C.
What is the InChIKey of 6-chloro-3-fluoro-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is NBMNTBWOJXECHD-NEPJUHHUSA-N. The full InChI is InChI=1S/C17H21ClFN5O2/c1-20-14(25)7-11-4-5-12(23(11)2)8-21-17(26)15-16(19)24-9-10(18)3-6-13(24)22-15/h3,6,9,11-12H,4-5,7-8H2,1-2H3,(H,20,25)(H,21,26)/t11-,12+/m1/s1.
What are the key properties of 6-chloro-3-fluoro-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide?
6-chloro-3-fluoro-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 381.84 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-fluoro-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 166617843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).