N-(3-tert-butyl-5-chloroimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide;N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylpentanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide

C65H76Cl2N12O6 — CID 161345392

IUPACN-(3-tert-butyl-5-chloroimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide;N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylpentanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide
SMILESCCC(O)(CC(=O)Nc1nc2ccc(C)nc2n1C1CCC1)c1ccccc1.CCC(O)(CC(=O)Nc1nc2ccc(Cl)nc2n1C(C)(C)C)c1ccccc1.CCC(O)(CC(=O)Nc1nc2ccc(Cl)nc2n1C1(C)CCC1)c1ccccc1
InChIInChI=1S/C22H25ClN4O2.C22H26N4O2.C21H25ClN4O2/c1-3-22(29,15-8-5-4-6-9-15)14-18(28)26-20-24-16-10-11-17(23)25-19(16)27(20)21(2)12-7-13-21;1-3-22(28,16-8-5-4-6-9-16)14-19(27)25-21-24-18-13-12-15(2)23-20(18)26(21)17-10-7-11-17;1-5-21(28,14-9-7-6-8-10-14)13-17(27)25-19-23-15-11-12-16(22)24-18(15)26(19)20(2,3)4/h4-6,8-11,29H,3,7,12-14H2,1-2H3,(H,24,26,28);4-6,8-9,12-13,17,28H,3,7,10-11,14H2,1-2H3,(H,24,25,27);6-12,28H,5,13H2,1-4H3,(H,23,25,27)
InChIKeyVNFKVOVBBBABQE-UHFFFAOYSA-N
MW1192.31 g/mol
LogP13.17
Rot. Bonds17

About N-(3-tert-butyl-5-chloroimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide;N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylpentanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide

N-(3-tert-butyl-5-chloroimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide;N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylpentanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide (PubChem CID 161345392) has the molecular formula C65H76Cl2N12O6 and a molecular weight of 1192.31 g/mol. Its IUPAC name is N-(3-tert-butyl-5-chloroimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide;N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylpentanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide.

Molecular Properties

Compound NameN-(3-tert-butyl-5-chloroimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide;N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylpentanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide
PubChem CID161345392
Molecular FormulaC65H76Cl2N12O6
Molecular Weight1192.31 g/mol
Exact Mass1190.54
IUPAC NameN-(3-tert-butyl-5-chloroimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide;N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylpentanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide
SMILESCCC(O)(CC(=O)Nc1nc2ccc(C)nc2n1C1CCC1)c1ccccc1.CCC(O)(CC(=O)Nc1nc2ccc(Cl)nc2n1C(C)(C)C)c1ccccc1.CCC(O)(CC(=O)Nc1nc2ccc(Cl)nc2n1C1(C)CCC1)c1ccccc1
InChIInChI=1S/C22H25ClN4O2.C22H26N4O2.C21H25ClN4O2/c1-3-22(29,15-8-5-4-6-9-15)14-18(28)26-20-24-16-10-11-17(23)25-19(16)27(20)21(2)12-7-13-21;1-3-22(28,16-8-5-4-6-9-16)14-19(27)25-21-24-18-13-12-15(2)23-20(18)26(21)17-10-7-11-17;1-5-21(28,14-9-7-6-8-10-14)13-17(27)25-19-23-15-11-12-16(22)24-18(15)26(19)20(2,3)4/h4-6,8-11,29H,3,7,12-14H2,1-2H3,(H,24,26,28);4-6,8-9,12-13,17,28H,3,7,10-11,14H2,1-2H3,(H,24,25,27);6-12,28H,5,13H2,1-4H3,(H,23,25,27)
InChIKeyVNFKVOVBBBABQE-UHFFFAOYSA-N
XLogP13.17
TPSA240.12 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds17
Heavy Atoms85
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001192.31
LogP ≤ 513.17
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-(3-tert-butyl-5-chloroimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide;N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylpentanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide with MolForge

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Related Compounds

(3S)-N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide
CID 130359652
(3S)-N-(3-tert-butyl-5-chloroimidazo[4,5-b]pyridin-2-yl)-3-(2-fluorophenyl)-3-hydroxybutanamide
CID 130359689
(3R)-N-[5-chloro-3-(3,3-difluorocyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide
CID 130359743
3-(4-chlorophenyl)-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxybutanamide
CID 130361166
3-(2-chlorophenyl)-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxybutanamide
CID 130361168
(3R)-N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide
CID 130361327
3-(3-chlorophenyl)-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxybutanamide
CID 130361328
(3S)-N-(3-tert-butyl-5-chloroimidazo[4,5-b]pyridin-2-yl)-3-(4-fluorophenyl)-3-hydroxybutanamide
CID 130361339
N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-4-fluoro-3-hydroxy-3-phenylbutanamide
CID 130361385
(3S)-N-(3-tert-butyl-5-chloroimidazo[4,5-b]pyridin-2-yl)-3-(3-fluorophenyl)-3-hydroxybutanamide
CID 130361411
(3S)-N-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide
CID 130361431
(3S)-N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-(4-fluorophenyl)-3-hydroxybutanamide
CID 130361604

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-5-chloroimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide;N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylpentanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide?
The IUPAC name of N-(3-tert-butyl-5-chloroimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide;N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylpentanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide (CID 161345392) is N-(3-tert-butyl-5-chloroimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide;N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylpentanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide.
What is the SMILES notation for N-(3-tert-butyl-5-chloroimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide;N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylpentanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide?
The canonical SMILES for N-(3-tert-butyl-5-chloroimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide;N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylpentanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide is CCC(O)(CC(=O)Nc1nc2ccc(C)nc2n1C1CCC1)c1ccccc1.CCC(O)(CC(=O)Nc1nc2ccc(Cl)nc2n1C(C)(C)C)c1ccccc1.CCC(O)(CC(=O)Nc1nc2ccc(Cl)nc2n1C1(C)CCC1)c1ccccc1.
What is the InChIKey of N-(3-tert-butyl-5-chloroimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide;N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylpentanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide?
The InChIKey is VNFKVOVBBBABQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O2.C22H26N4O2.C21H25ClN4O2/c1-3-22(29,15-8-5-4-6-9-15)14-18(28)26-20-24-16-10-11-17(23)25-19(16)27(20)21(2)12-7-13-21;1-3-22(28,16-8-5-4-6-9-16)14-19(27)25-21-24-18-13-12-15(2)23-20(18)26(21)17-10-7-11-17;1-5-21(28,14-9-7-6-8-10-14)13-17(27)25-19-23-15-11-12-16(22)24-18(15)26(19)20(2,3)4/h4-6,8-11,29H,3,7,12-14H2,1-2H3,(H,24,26,28);4-6,8-9,12-13,17,28H,3,7,10-11,14H2,1-2H3,(H,24,25,27);6-12,28H,5,13H2,1-4H3,(H,23,25,27).
What are the key properties of N-(3-tert-butyl-5-chloroimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide;N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylpentanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide?
N-(3-tert-butyl-5-chloroimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide;N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylpentanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide has a molecular weight of 1192.31 g/mol, XLogP of 13.17, 17 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-5-chloroimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide;N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylpentanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpentanamide is sourced from PubChem (CID 161345392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).