N-[(2S)-2-[6-chloro-7-(4-fluorophenyl)-2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl]butyl]acetamide

C18H18ClFN4O2 — CID 68626848

IUPACN-[(2S)-2-[6-chloro-7-(4-fluorophenyl)-2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl]butyl]acetamide
SMILESCC[C@@H](CNC(C)=O)c1nc2[nH]c(=O)[nH]c2c(-c2ccc(F)cc2)c1Cl
InChIInChI=1S/C18H18ClFN4O2/c1-3-10(8-21-9(2)25)15-14(19)13(11-4-6-12(20)7-5-11)16-17(22-15)24-18(26)23-16/h4-7,10H,3,8H2,1-2H3,(H,21,25)(H2,22,23,24,26)/t10-/m0/s1
InChIKeyASOJMDJOVAJDAF-JTQLQIEISA-N
MW376.82 g/mol
LogP3.34
Rot. Bonds5

About N-[(2S)-2-[6-chloro-7-(4-fluorophenyl)-2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl]butyl]acetamide

N-[(2S)-2-[6-chloro-7-(4-fluorophenyl)-2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl]butyl]acetamide (PubChem CID 68626848) has the molecular formula C18H18ClFN4O2 and a molecular weight of 376.82 g/mol. Its IUPAC name is N-[(2S)-2-[6-chloro-7-(4-fluorophenyl)-2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl]butyl]acetamide.

Molecular Properties

Compound NameN-[(2S)-2-[6-chloro-7-(4-fluorophenyl)-2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl]butyl]acetamide
PubChem CID68626848
Molecular FormulaC18H18ClFN4O2
Molecular Weight376.82 g/mol
Exact Mass376.11
IUPAC NameN-[(2S)-2-[6-chloro-7-(4-fluorophenyl)-2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl]butyl]acetamide
SMILESCC[C@@H](CNC(C)=O)c1nc2[nH]c(=O)[nH]c2c(-c2ccc(F)cc2)c1Cl
InChIInChI=1S/C18H18ClFN4O2/c1-3-10(8-21-9(2)25)15-14(19)13(11-4-6-12(20)7-5-11)16-17(22-15)24-18(26)23-16/h4-7,10H,3,8H2,1-2H3,(H,21,25)(H2,22,23,24,26)/t10-/m0/s1
InChIKeyASOJMDJOVAJDAF-JTQLQIEISA-N
XLogP3.34
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.82
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S,4S)-4-[(6-amino-4-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-2-[2-(3-fluorophenyl)ethylamino]acetamide
CID 44592351
2-amino-1-[3-(4-chloroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
CID 49857441
2-amino-1-[2-(4-chlorophenyl)-3-(4-fluoroanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
CID 53387401
N-[4-[(6-amino-4-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-2-[2-(3-fluorophenyl)ethylamino]acetamide
CID 44592994
2-amino-1-[(8S)-3-(3-chloro-4-fluoro-anilino)-2-(4-fluorophenyl)-8-isopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
CID 70684254
2-amino-1-[(8R)-3-(3-chloro-4-fluoro-anilino)-2-(4-fluorophenyl)-8-isopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
CID 70686404
(2R,4S)-N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-4-[(3-chloro-4-fluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 153269921
(4S)-N-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-1-(6-methyl-2-pyridinyl)-2-oxoimidazolidine-4-carboxamide
CID 71463309
2-[6-(3-chloro-4-fluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]acetamide
CID 134493630
2-[6-(3-chloro-4-fluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]-N-cyclopropylacetamide
CID 134494086
Synthesis of (S)-N-(3-chloro-2,4-difluorophenyl)-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-N-methyl-2-oxoimidazolidine-4-carboxamide
CID 168966822
(S)-N-(3-chloro-2,4-difluorophenyl)-3-(5,5-difluoro-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopentadienyl[b]pyridin-2-yl)-N-methyl-2-oxoimidazolidine-4-carboxamide
CID 168966839

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-[6-chloro-7-(4-fluorophenyl)-2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl]butyl]acetamide?
The IUPAC name of N-[(2S)-2-[6-chloro-7-(4-fluorophenyl)-2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl]butyl]acetamide (CID 68626848) is N-[(2S)-2-[6-chloro-7-(4-fluorophenyl)-2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl]butyl]acetamide.
What is the SMILES notation for N-[(2S)-2-[6-chloro-7-(4-fluorophenyl)-2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl]butyl]acetamide?
The canonical SMILES for N-[(2S)-2-[6-chloro-7-(4-fluorophenyl)-2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl]butyl]acetamide is CC[C@@H](CNC(C)=O)c1nc2[nH]c(=O)[nH]c2c(-c2ccc(F)cc2)c1Cl.
What is the InChIKey of N-[(2S)-2-[6-chloro-7-(4-fluorophenyl)-2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl]butyl]acetamide?
The InChIKey is ASOJMDJOVAJDAF-JTQLQIEISA-N. The full InChI is InChI=1S/C18H18ClFN4O2/c1-3-10(8-21-9(2)25)15-14(19)13(11-4-6-12(20)7-5-11)16-17(22-15)24-18(26)23-16/h4-7,10H,3,8H2,1-2H3,(H,21,25)(H2,22,23,24,26)/t10-/m0/s1.
What are the key properties of N-[(2S)-2-[6-chloro-7-(4-fluorophenyl)-2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl]butyl]acetamide?
N-[(2S)-2-[6-chloro-7-(4-fluorophenyl)-2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl]butyl]acetamide has a molecular weight of 376.82 g/mol, XLogP of 3.34, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-[6-chloro-7-(4-fluorophenyl)-2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl]butyl]acetamide is sourced from PubChem (CID 68626848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).