1-[4-[[6-chloro-5-(1-methyl-2,3-dihydroindol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidin-1-yl]-3-hydroxy-2,2-dimethylpropan-1-one

C25H30ClN5O3 — CID 90160392

IUPAC1-[4-[[6-chloro-5-(1-methyl-2,3-dihydroindol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidin-1-yl]-3-hydroxy-2,2-dimethylpropan-1-one
SMILESCN1CCc2cc(-c3nc4nc(OC5CCN(C(=O)C(C)(C)CO)CC5)[nH]c4cc3Cl)ccc21
InChIInChI=1S/C25H30ClN5O3/c1-25(2,14-32)23(33)31-10-7-17(8-11-31)34-24-27-19-13-18(26)21(28-22(19)29-24)16-4-5-20-15(12-16)6-9-30(20)3/h4-5,12-13,17,32H,6-11,14H2,1-3H3,(H,27,28,29)
InChIKeyJMOORDXVXFBENM-UHFFFAOYSA-N
MW484.00 g/mol
LogP3.66
Rot. Bonds5

About 1-[4-[[6-chloro-5-(1-methyl-2,3-dihydroindol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidin-1-yl]-3-hydroxy-2,2-dimethylpropan-1-one

1-[4-[[6-chloro-5-(1-methyl-2,3-dihydroindol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidin-1-yl]-3-hydroxy-2,2-dimethylpropan-1-one (PubChem CID 90160392) has the molecular formula C25H30ClN5O3 and a molecular weight of 484.00 g/mol. Its IUPAC name is 1-[4-[[6-chloro-5-(1-methyl-2,3-dihydroindol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidin-1-yl]-3-hydroxy-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-[[6-chloro-5-(1-methyl-2,3-dihydroindol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidin-1-yl]-3-hydroxy-2,2-dimethylpropan-1-one
PubChem CID90160392
Molecular FormulaC25H30ClN5O3
Molecular Weight484.00 g/mol
Exact Mass483.20
IUPAC Name1-[4-[[6-chloro-5-(1-methyl-2,3-dihydroindol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidin-1-yl]-3-hydroxy-2,2-dimethylpropan-1-one
SMILESCN1CCc2cc(-c3nc4nc(OC5CCN(C(=O)C(C)(C)CO)CC5)[nH]c4cc3Cl)ccc21
InChIInChI=1S/C25H30ClN5O3/c1-25(2,14-32)23(33)31-10-7-17(8-11-31)34-24-27-19-13-18(26)21(28-22(19)29-24)16-4-5-20-15(12-16)6-9-30(20)3/h4-5,12-13,17,32H,6-11,14H2,1-3H3,(H,27,28,29)
InChIKeyJMOORDXVXFBENM-UHFFFAOYSA-N
XLogP3.66
TPSA94.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.00
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[4-[[6-chloro-5-(1-methyl-2,3-dihydroindol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidin-1-yl]-3-hydroxy-2,2-dimethylpropan-1-one with MolForge

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Related Compounds

1-[4-[[6-chloro-5-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidin-1-yl]-2-methylpropan-1-one
CID 90160554
4-[4-[6-chloro-2-[1-(2-methylpropanoyl)piperidin-4-yl]oxy-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]cyclohexane-1-carboxylic acid
CID 90160567
4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-N,N-dimethylpiperidine-1-carboxamide
CID 90275350
2-[4-[[6-chloro-5-[4-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclohexyl]-2-methylpropanoic acid
CID 90160658
4-[4-[6-chloro-2-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclohexyl]oxy-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]-N-methylbenzamide
CID 121458813
4-[4-(6-chloro-2-cyclohexyloxy-1H-imidazo[4,5-b]pyridin-5-yl)phenyl]benzamide
CID 126576172
4-[4-[2-[3-(azetidine-1-carbonyl)cyclobutyl]oxy-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]benzoic acid
CID 90160608
4-[[6-chloro-5-[4-[4-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]phenyl]phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclohexane-1-carboxylic acid
CID 168904478
ethyl 1-[4-[[6-chloro-5-[4-[1-(2-hydroxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclohexyl]cyclobutane-1-carboxylate
CID 90160604
[4-[[5-(4-bromophenyl)-6-chloro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]oxolan-2-yl]methanol
CID 123567423
2-[4-[[6-chloro-5-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclohexyl]acetic acid
CID 90160607
(1S,2R,5S)-5-[[6-chloro-5-[4-[4-(methylsulfonylmethyl)phenyl]phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-(hydroxymethyl)cyclohexan-1-ol
CID 121458795

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[6-chloro-5-(1-methyl-2,3-dihydroindol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidin-1-yl]-3-hydroxy-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-[[6-chloro-5-(1-methyl-2,3-dihydroindol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidin-1-yl]-3-hydroxy-2,2-dimethylpropan-1-one (CID 90160392) is 1-[4-[[6-chloro-5-(1-methyl-2,3-dihydroindol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidin-1-yl]-3-hydroxy-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-[[6-chloro-5-(1-methyl-2,3-dihydroindol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidin-1-yl]-3-hydroxy-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-[[6-chloro-5-(1-methyl-2,3-dihydroindol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidin-1-yl]-3-hydroxy-2,2-dimethylpropan-1-one is CN1CCc2cc(-c3nc4nc(OC5CCN(C(=O)C(C)(C)CO)CC5)[nH]c4cc3Cl)ccc21.
What is the InChIKey of 1-[4-[[6-chloro-5-(1-methyl-2,3-dihydroindol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidin-1-yl]-3-hydroxy-2,2-dimethylpropan-1-one?
The InChIKey is JMOORDXVXFBENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN5O3/c1-25(2,14-32)23(33)31-10-7-17(8-11-31)34-24-27-19-13-18(26)21(28-22(19)29-24)16-4-5-20-15(12-16)6-9-30(20)3/h4-5,12-13,17,32H,6-11,14H2,1-3H3,(H,27,28,29).
What are the key properties of 1-[4-[[6-chloro-5-(1-methyl-2,3-dihydroindol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidin-1-yl]-3-hydroxy-2,2-dimethylpropan-1-one?
1-[4-[[6-chloro-5-(1-methyl-2,3-dihydroindol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidin-1-yl]-3-hydroxy-2,2-dimethylpropan-1-one has a molecular weight of 484.00 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[6-chloro-5-(1-methyl-2,3-dihydroindol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidin-1-yl]-3-hydroxy-2,2-dimethylpropan-1-one is sourced from PubChem (CID 90160392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).