N-[4-chloro-3-(6-phenyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]pyrrolidine-1-carboxamide

C23H20ClN5O — CID 78425815

IUPACN-[4-chloro-3-(6-phenyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)c(-c2nc3ncc(-c4ccccc4)cc3[nH]2)c1)N1CCCC1
InChIInChI=1S/C23H20ClN5O/c24-19-9-8-17(26-23(30)29-10-4-5-11-29)13-18(19)21-27-20-12-16(14-25-22(20)28-21)15-6-2-1-3-7-15/h1-3,6-9,12-14H,4-5,10-11H2,(H,26,30)(H,25,27,28)
InChIKeyPQAADKZMLKXDNF-UHFFFAOYSA-N
MW417.90 g/mol
LogP5.57
Rot. Bonds3

About N-[4-chloro-3-(6-phenyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]pyrrolidine-1-carboxamide

N-[4-chloro-3-(6-phenyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]pyrrolidine-1-carboxamide (PubChem CID 78425815) has the molecular formula C23H20ClN5O and a molecular weight of 417.90 g/mol. Its IUPAC name is N-[4-chloro-3-(6-phenyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(6-phenyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]pyrrolidine-1-carboxamide
PubChem CID78425815
Molecular FormulaC23H20ClN5O
Molecular Weight417.90 g/mol
Exact Mass417.14
IUPAC NameN-[4-chloro-3-(6-phenyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)c(-c2nc3ncc(-c4ccccc4)cc3[nH]2)c1)N1CCCC1
InChIInChI=1S/C23H20ClN5O/c24-19-9-8-17(26-23(30)29-10-4-5-11-29)13-18(19)21-27-20-12-16(14-25-22(20)28-21)15-6-2-1-3-7-15/h1-3,6-9,12-14H,4-5,10-11H2,(H,26,30)(H,25,27,28)
InChIKeyPQAADKZMLKXDNF-UHFFFAOYSA-N
XLogP5.57
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.90
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[4-[2-[2-chloro-5-(pyrrolidine-1-carbonylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]phenyl]-N-methylcarbamate
CID 90403309
[3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-chlorophenyl]carbamic acid
CID 90403447
N-[4-fluoro-3-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide
CID 155562516
N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-phenylacetamide
CID 90403734
N-[3-[6-[4-(carbamoylamino)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-4-chlorophenyl]furan-2-carboxamide
CID 85472624
N-[4-chloro-3-[6-[2-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide
CID 85472229
N-[4-chloro-3-[6-(2,6-dimethyl-4-pyridinyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide
CID 85472746
N-[4-chloro-3-[6-[4-(cyclopropylcarbamoylamino)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide
CID 85472876
1-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methylurea
CID 90403490
N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-5-methylpyrazine-2-carboxamide
CID 90403510
N-[4-chloro-3-[6-[4-(methylamino)phenyl]imidazo[1,2-a]pyrimidin-2-yl]phenyl]pyrrolidine-1-carboxamide
CID 86296948
propan-2-yl N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]carbamate
CID 90404079

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(6-phenyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[4-chloro-3-(6-phenyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]pyrrolidine-1-carboxamide (CID 78425815) is N-[4-chloro-3-(6-phenyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(6-phenyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[4-chloro-3-(6-phenyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]pyrrolidine-1-carboxamide is O=C(Nc1ccc(Cl)c(-c2nc3ncc(-c4ccccc4)cc3[nH]2)c1)N1CCCC1.
What is the InChIKey of N-[4-chloro-3-(6-phenyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is PQAADKZMLKXDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN5O/c24-19-9-8-17(26-23(30)29-10-4-5-11-29)13-18(19)21-27-20-12-16(14-25-22(20)28-21)15-6-2-1-3-7-15/h1-3,6-9,12-14H,4-5,10-11H2,(H,26,30)(H,25,27,28).
What are the key properties of N-[4-chloro-3-(6-phenyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]pyrrolidine-1-carboxamide?
N-[4-chloro-3-(6-phenyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 417.90 g/mol, XLogP of 5.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(6-phenyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 78425815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).