1-[1-[2-[5-[3-chloro-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one

C27H28ClN7O3 — CID 25151776

IUPAC1-[1-[2-[5-[3-chloro-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESCN1CC=C(c2cc(Cl)cc(-c3nnc(CC(=O)N4CCC(n5c(=O)[nH]c6ncccc65)CC4)o3)c2)CC1
InChIInChI=1S/C27H28ClN7O3/c1-33-9-4-17(5-10-33)18-13-19(15-20(28)14-18)26-32-31-23(38-26)16-24(36)34-11-6-21(7-12-34)35-22-3-2-8-29-25(22)30-27(35)37/h2-4,8,13-15,21H,5-7,9-12,16H2,1H3,(H,29,30,37)
InChIKeyLSXXRIXALCGMPL-UHFFFAOYSA-N
MW534.02 g/mol
LogP3.55
Rot. Bonds5

About 1-[1-[2-[5-[3-chloro-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one

1-[1-[2-[5-[3-chloro-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 25151776) has the molecular formula C27H28ClN7O3 and a molecular weight of 534.02 g/mol. Its IUPAC name is 1-[1-[2-[5-[3-chloro-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-[1-[2-[5-[3-chloro-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID25151776
Molecular FormulaC27H28ClN7O3
Molecular Weight534.02 g/mol
Exact Mass533.19
IUPAC Name1-[1-[2-[5-[3-chloro-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESCN1CC=C(c2cc(Cl)cc(-c3nnc(CC(=O)N4CCC(n5c(=O)[nH]c6ncccc65)CC4)o3)c2)CC1
InChIInChI=1S/C27H28ClN7O3/c1-33-9-4-17(5-10-33)18-13-19(15-20(28)14-18)26-32-31-23(38-26)16-24(36)34-11-6-21(7-12-34)35-22-3-2-8-29-25(22)30-27(35)37/h2-4,8,13-15,21H,5-7,9-12,16H2,1H3,(H,29,30,37)
InChIKeyLSXXRIXALCGMPL-UHFFFAOYSA-N
XLogP3.55
TPSA113.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.02
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[1-[2-[5-[3-chloro-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 4-[3-chloro-5-[5-[2-oxo-2-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]ethyl]-1,3,4-oxadiazol-2-yl]phenyl]piperidine-1-carboxylate
CID 25151971
1-[1-[2-[5-[3-chloro-5-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]phenyl]-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
CID 25151024
5-amino-4-[(1Z)-buta-1,3-dienyl]-3-[1-[2-[5-[3-chloro-5-(1,2-dimethylimidazol-4-yl)phenyl]-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-1H-imidazol-2-one
CID 89219999
ethyl 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate
CID 24885297
ethane;1-(1-methylpiperidin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one
CID 143218186
potassium;hydride;4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 174628574
2-[5-(3-chloro-5-pyridin-3-ylphenyl)-1,3,4-oxadiazol-2-yl]-1-piperidin-1-ylethanone
CID 90699754
methyl 4-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]piperidine-1-carboxylate
CID 22745299
methylidyne-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]azanium
CID 163491141
1-[1-[2-[5-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxo-3-pyridinyl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
CID 59825893
potassium 1-(1-oxidopiperidin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one
CID 145302216
ethane;4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbaldehyde
CID 142441053

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[5-[3-chloro-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-[1-[2-[5-[3-chloro-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one (CID 25151776) is 1-[1-[2-[5-[3-chloro-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-[1-[2-[5-[3-chloro-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-[1-[2-[5-[3-chloro-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one is CN1CC=C(c2cc(Cl)cc(-c3nnc(CC(=O)N4CCC(n5c(=O)[nH]c6ncccc65)CC4)o3)c2)CC1.
What is the InChIKey of 1-[1-[2-[5-[3-chloro-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is LSXXRIXALCGMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClN7O3/c1-33-9-4-17(5-10-33)18-13-19(15-20(28)14-18)26-32-31-23(38-26)16-24(36)34-11-6-21(7-12-34)35-22-3-2-8-29-25(22)30-27(35)37/h2-4,8,13-15,21H,5-7,9-12,16H2,1H3,(H,29,30,37).
What are the key properties of 1-[1-[2-[5-[3-chloro-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
1-[1-[2-[5-[3-chloro-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 534.02 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[5-[3-chloro-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 25151776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).