2-[(2-chlorophenyl)methylamino]-1-[3-[(2-methylpropan-2-yl)oxy]propyl]imidazo[4,5-b]pyridine-5-carboxamide

C21H26ClN5O2 — CID 46879658

IUPAC2-[(2-chlorophenyl)methylamino]-1-[3-[(2-methylpropan-2-yl)oxy]propyl]imidazo[4,5-b]pyridine-5-carboxamide
SMILESCC(C)(C)OCCCn1c(NCc2ccccc2Cl)nc2nc(C(N)=O)ccc21
InChIInChI=1S/C21H26ClN5O2/c1-21(2,3)29-12-6-11-27-17-10-9-16(18(23)28)25-19(17)26-20(27)24-13-14-7-4-5-8-15(14)22/h4-5,7-10H,6,11-13H2,1-3H3,(H2,23,28)(H,24,25,26)
InChIKeyOKLRVHBRQCOLJP-UHFFFAOYSA-N
MW415.93 g/mol
LogP4.00
Rot. Bonds8

About 2-[(2-chlorophenyl)methylamino]-1-[3-[(2-methylpropan-2-yl)oxy]propyl]imidazo[4,5-b]pyridine-5-carboxamide

2-[(2-chlorophenyl)methylamino]-1-[3-[(2-methylpropan-2-yl)oxy]propyl]imidazo[4,5-b]pyridine-5-carboxamide (PubChem CID 46879658) has the molecular formula C21H26ClN5O2 and a molecular weight of 415.93 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylamino]-1-[3-[(2-methylpropan-2-yl)oxy]propyl]imidazo[4,5-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylamino]-1-[3-[(2-methylpropan-2-yl)oxy]propyl]imidazo[4,5-b]pyridine-5-carboxamide
PubChem CID46879658
Molecular FormulaC21H26ClN5O2
Molecular Weight415.93 g/mol
Exact Mass415.18
IUPAC Name2-[(2-chlorophenyl)methylamino]-1-[3-[(2-methylpropan-2-yl)oxy]propyl]imidazo[4,5-b]pyridine-5-carboxamide
SMILESCC(C)(C)OCCCn1c(NCc2ccccc2Cl)nc2nc(C(N)=O)ccc21
InChIInChI=1S/C21H26ClN5O2/c1-21(2,3)29-12-6-11-27-17-10-9-16(18(23)28)25-19(17)26-20(27)24-13-14-7-4-5-8-15(14)22/h4-5,7-10H,6,11-13H2,1-3H3,(H2,23,28)(H,24,25,26)
InChIKeyOKLRVHBRQCOLJP-UHFFFAOYSA-N
XLogP4.00
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.93
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-Chloranyl-1-Methyl-2-[4-(4-Methylpiperazin-1-Yl)phenyl]pyrrolo[2,3-B]pyridine-6-Carboxamide
CID 129012056
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CID 1121185
3,4-dichloro-2-(4-methoxybut-1-ynyl)-1-[(3S)-piperidin-3-yl]pyrrolo[2,3-b]pyridine-6-carboxamide
CID 155550408
2-(3-cyanobenzamido)-N-ethyl-3-(3-methoxypropyl)-N-methyl-3H-imidazo[4,5-b]pyridine-5-carboxamide
CID 50899648
2-(3-cyanobenzamido)-N-isopropyl-3-(3-methoxypropyl)-N-methyl-3H-imidazo[4,5-b]pyridine-5-carboxamide
CID 52942205
4-Chloro-1,3-dimethyl-2-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,3-b]pyridine-6-carboxamide
CID 137646513
N-[2-(2-chlorophenyl)ethyl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide
CID 16030085
2-[(2-Chlorophenyl)methylamino]-1-(3-hydroxy-2,2-dimethylpropyl)imidazo[4,5-b]pyridine-5-carboxamide
CID 45375880
(R)-2-(2-chlorobenzylamino)-1-(2,3-dihydro-1H-inden-1-yl)-1H-imidazo[4,5-b]pyridine-5-carboxamide
CID 46238368
2-[(2-Chlorophenyl)methylamino]-1-(cyclohexylmethyl)imidazo[4,5-b]pyridine-5-carboxamide
CID 46879570
2-[(2-Chlorophenyl)methylamino]-1-cyclohexylimidazo[4,5-b]pyridine-5-carboxamide
CID 46879571
1-Benzyl-2-[(2-chlorophenyl)methylamino]imidazo[4,5-b]pyridine-5-carboxamide
CID 46879573

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylamino]-1-[3-[(2-methylpropan-2-yl)oxy]propyl]imidazo[4,5-b]pyridine-5-carboxamide?
The IUPAC name of 2-[(2-chlorophenyl)methylamino]-1-[3-[(2-methylpropan-2-yl)oxy]propyl]imidazo[4,5-b]pyridine-5-carboxamide (CID 46879658) is 2-[(2-chlorophenyl)methylamino]-1-[3-[(2-methylpropan-2-yl)oxy]propyl]imidazo[4,5-b]pyridine-5-carboxamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methylamino]-1-[3-[(2-methylpropan-2-yl)oxy]propyl]imidazo[4,5-b]pyridine-5-carboxamide?
The canonical SMILES for 2-[(2-chlorophenyl)methylamino]-1-[3-[(2-methylpropan-2-yl)oxy]propyl]imidazo[4,5-b]pyridine-5-carboxamide is CC(C)(C)OCCCn1c(NCc2ccccc2Cl)nc2nc(C(N)=O)ccc21.
What is the InChIKey of 2-[(2-chlorophenyl)methylamino]-1-[3-[(2-methylpropan-2-yl)oxy]propyl]imidazo[4,5-b]pyridine-5-carboxamide?
The InChIKey is OKLRVHBRQCOLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN5O2/c1-21(2,3)29-12-6-11-27-17-10-9-16(18(23)28)25-19(17)26-20(27)24-13-14-7-4-5-8-15(14)22/h4-5,7-10H,6,11-13H2,1-3H3,(H2,23,28)(H,24,25,26).
What are the key properties of 2-[(2-chlorophenyl)methylamino]-1-[3-[(2-methylpropan-2-yl)oxy]propyl]imidazo[4,5-b]pyridine-5-carboxamide?
2-[(2-chlorophenyl)methylamino]-1-[3-[(2-methylpropan-2-yl)oxy]propyl]imidazo[4,5-b]pyridine-5-carboxamide has a molecular weight of 415.93 g/mol, XLogP of 4.00, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylamino]-1-[3-[(2-methylpropan-2-yl)oxy]propyl]imidazo[4,5-b]pyridine-5-carboxamide is sourced from PubChem (CID 46879658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).