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

C27H28ClF2N7O3 — CID 25151024

IUPAC1-[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
SMILESO=C(Cc1nnc(-c2cc(Cl)cc(C3CCN(CC(F)F)C3)c2)o1)N1CCC(n2c(=O)[nH]c3ncccc32)CC1
InChIInChI=1S/C27H28ClF2N7O3/c28-19-11-17(16-3-7-35(14-16)15-22(29)30)10-18(12-19)26-34-33-23(40-26)13-24(38)36-8-4-20(5-9-36)37-21-2-1-6-31-25(21)32-27(37)39/h1-2,6,10-12,16,20,22H,3-5,7-9,13-15H2,(H,31,32,39)
InChIKeyCDMJZTLIOSCOOL-UHFFFAOYSA-N
MW572.02 g/mol
LogP3.89
Rot. Bonds7

About 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

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 (PubChem CID 25151024) has the molecular formula C27H28ClF2N7O3 and a molecular weight of 572.02 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID25151024
Molecular FormulaC27H28ClF2N7O3
Molecular Weight572.02 g/mol
Exact Mass571.19
IUPAC Name1-[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
SMILESO=C(Cc1nnc(-c2cc(Cl)cc(C3CCN(CC(F)F)C3)c2)o1)N1CCC(n2c(=O)[nH]c3ncccc32)CC1
InChIInChI=1S/C27H28ClF2N7O3/c28-19-11-17(16-3-7-35(14-16)15-22(29)30)10-18(12-19)26-34-33-23(40-26)13-24(38)36-8-4-20(5-9-36)37-21-2-1-6-31-25(21)32-27(37)39/h1-2,6,10-12,16,20,22H,3-5,7-9,13-15H2,(H,31,32,39)
InChIKeyCDMJZTLIOSCOOL-UHFFFAOYSA-N
XLogP3.89
TPSA113.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500572.02
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(Cc1nnc(-c2cc(Cl)cc(C3CCN(CC(F)F)C3)c2)o1)N1CCC(n2c(=O)[nH]c3ncccc32)CC1.
What is the InChIKey of 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?
The InChIKey is CDMJZTLIOSCOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClF2N7O3/c28-19-11-17(16-3-7-35(14-16)15-22(29)30)10-18(12-19)26-34-33-23(40-26)13-24(38)36-8-4-20(5-9-36)37-21-2-1-6-31-25(21)32-27(37)39/h1-2,6,10-12,16,20,22H,3-5,7-9,13-15H2,(H,31,32,39).
What are the key properties of 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?
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 has a molecular weight of 572.02 g/mol, XLogP of 3.89, 7 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-(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 is sourced from PubChem (CID 25151024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).