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

C31H36ClN7O5 — CID 25151971

IUPACtert-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
SMILESCC(C)(C)OC(=O)N1CCC(c2cc(Cl)cc(-c3nnc(CC(=O)N4CCC(n5c(=O)[nH]c6ncccc65)CC4)o3)c2)CC1
InChIInChI=1S/C31H36ClN7O5/c1-31(2,3)44-30(42)38-11-6-19(7-12-38)20-15-21(17-22(32)16-20)28-36-35-25(43-28)18-26(40)37-13-8-23(9-14-37)39-24-5-4-10-33-27(24)34-29(39)41/h4-5,10,15-17,19,23H,6-9,11-14,18H2,1-3H3,(H,33,34,41)
InChIKeyDOBFCBAKICJHQE-UHFFFAOYSA-N
MW622.13 g/mol
LogP4.95
Rot. Bonds5

About 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

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 (PubChem CID 25151971) has the molecular formula C31H36ClN7O5 and a molecular weight of 622.13 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-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
PubChem CID25151971
Molecular FormulaC31H36ClN7O5
Molecular Weight622.13 g/mol
Exact Mass621.25
IUPAC Nametert-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
SMILESCC(C)(C)OC(=O)N1CCC(c2cc(Cl)cc(-c3nnc(CC(=O)N4CCC(n5c(=O)[nH]c6ncccc65)CC4)o3)c2)CC1
InChIInChI=1S/C31H36ClN7O5/c1-31(2,3)44-30(42)38-11-6-19(7-12-38)20-15-21(17-22(32)16-20)28-36-35-25(43-28)18-26(40)37-13-8-23(9-14-37)39-24-5-4-10-33-27(24)34-29(39)41/h4-5,10,15-17,19,23H,6-9,11-14,18H2,1-3H3,(H,33,34,41)
InChIKeyDOBFCBAKICJHQE-UHFFFAOYSA-N
XLogP4.95
TPSA139.45 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500622.13
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
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
ethyl 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate
CID 24885297
methyl 4-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]piperidine-1-carboxylate
CID 22745299
tert-butyl 4-(3,5-dichlorophenyl)piperidine-1-carboxylate
CID 27281787
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
potassium;hydride;4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 174628574
tert-butyl 4-[(2-amino-3-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;1-piperidin-4-yl-3H-imidazo[4,5-b]pyridin-2-one;pyridine-2,3-diamine
CID 157426899
ethane;1-(1-methylpiperidin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one
CID 143218186
methylidyne-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]azanium
CID 163491141
tert-butyl 4-(5-chloro-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate
CID 87278624
tert-butyl 4-(1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate
CID 125461639

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)OC(=O)N1CCC(c2cc(Cl)cc(-c3nnc(CC(=O)N4CCC(n5c(=O)[nH]c6ncccc65)CC4)o3)c2)CC1.
What is the InChIKey of 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?
The InChIKey is DOBFCBAKICJHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36ClN7O5/c1-31(2,3)44-30(42)38-11-6-19(7-12-38)20-15-21(17-22(32)16-20)28-36-35-25(43-28)18-26(40)37-13-8-23(9-14-37)39-24-5-4-10-33-27(24)34-29(39)41/h4-5,10,15-17,19,23H,6-9,11-14,18H2,1-3H3,(H,33,34,41).
What are the key properties of 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?
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 has a molecular weight of 622.13 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 25151971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).