tert-butyl N-[3-[[(1R,2R)-2-(difluoromethoxy)cyclobutyl]carbamoyl]-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridin-7-yl]-N-methylcarbamate

C28H29F2N7O6 — CID 177200132

IUPACtert-butyl N-[3-[[(1R,2R)-2-(difluoromethoxy)cyclobutyl]carbamoyl]-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridin-7-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1cc(Nc2cccn(-c3ccccn3)c2=O)nc2c(C(=O)N[C@@H]3CC[C@H]3OC(F)F)onc12
InChIInChI=1S/C28H29F2N7O6/c1-28(2,3)42-27(40)36(4)17-14-19(32-16-8-7-13-37(25(16)39)20-9-5-6-12-31-20)34-22-21(17)35-43-23(22)24(38)33-15-10-11-18(15)41-26(29)30/h5-9,12-15,18,26H,10-11H2,1-4H3,(H,32,34)(H,33,38)/t15-,18-/m1/s1
InChIKeySIJHUSZJYAZZKZ-CRAIPNDOSA-N
MW597.58 g/mol
LogP4.38
Rot. Bonds8

About tert-butyl N-[3-[[(1R,2R)-2-(difluoromethoxy)cyclobutyl]carbamoyl]-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridin-7-yl]-N-methylcarbamate

tert-butyl N-[3-[[(1R,2R)-2-(difluoromethoxy)cyclobutyl]carbamoyl]-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridin-7-yl]-N-methylcarbamate (PubChem CID 177200132) has the molecular formula C28H29F2N7O6 and a molecular weight of 597.58 g/mol. Its IUPAC name is tert-butyl N-[3-[[(1R,2R)-2-(difluoromethoxy)cyclobutyl]carbamoyl]-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridin-7-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[[(1R,2R)-2-(difluoromethoxy)cyclobutyl]carbamoyl]-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridin-7-yl]-N-methylcarbamate
PubChem CID177200132
Molecular FormulaC28H29F2N7O6
Molecular Weight597.58 g/mol
Exact Mass597.21
IUPAC Nametert-butyl N-[3-[[(1R,2R)-2-(difluoromethoxy)cyclobutyl]carbamoyl]-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridin-7-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1cc(Nc2cccn(-c3ccccn3)c2=O)nc2c(C(=O)N[C@@H]3CC[C@H]3OC(F)F)onc12
InChIInChI=1S/C28H29F2N7O6/c1-28(2,3)42-27(40)36(4)17-14-19(32-16-8-7-13-37(25(16)39)20-9-5-6-12-31-20)34-22-21(17)35-43-23(22)24(38)33-15-10-11-18(15)41-26(29)30/h5-9,12-15,18,26H,10-11H2,1-4H3,(H,32,34)(H,33,38)/t15-,18-/m1/s1
InChIKeySIJHUSZJYAZZKZ-CRAIPNDOSA-N
XLogP4.38
TPSA153.71 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.58
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze tert-butyl N-[3-[[(1R,2R)-2-(difluoromethoxy)cyclobutyl]carbamoyl]-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridin-7-yl]-N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[[(1R,2R)-2-(difluoromethoxy)cyclobutyl]carbamoyl]-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridin-7-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[3-[[(1R,2R)-2-(difluoromethoxy)cyclobutyl]carbamoyl]-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridin-7-yl]-N-methylcarbamate (CID 177200132) is tert-butyl N-[3-[[(1R,2R)-2-(difluoromethoxy)cyclobutyl]carbamoyl]-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridin-7-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[3-[[(1R,2R)-2-(difluoromethoxy)cyclobutyl]carbamoyl]-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridin-7-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[3-[[(1R,2R)-2-(difluoromethoxy)cyclobutyl]carbamoyl]-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridin-7-yl]-N-methylcarbamate is CN(C(=O)OC(C)(C)C)c1cc(Nc2cccn(-c3ccccn3)c2=O)nc2c(C(=O)N[C@@H]3CC[C@H]3OC(F)F)onc12.
What is the InChIKey of tert-butyl N-[3-[[(1R,2R)-2-(difluoromethoxy)cyclobutyl]carbamoyl]-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridin-7-yl]-N-methylcarbamate?
The InChIKey is SIJHUSZJYAZZKZ-CRAIPNDOSA-N. The full InChI is InChI=1S/C28H29F2N7O6/c1-28(2,3)42-27(40)36(4)17-14-19(32-16-8-7-13-37(25(16)39)20-9-5-6-12-31-20)34-22-21(17)35-43-23(22)24(38)33-15-10-11-18(15)41-26(29)30/h5-9,12-15,18,26H,10-11H2,1-4H3,(H,32,34)(H,33,38)/t15-,18-/m1/s1.
What are the key properties of tert-butyl N-[3-[[(1R,2R)-2-(difluoromethoxy)cyclobutyl]carbamoyl]-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridin-7-yl]-N-methylcarbamate?
tert-butyl N-[3-[[(1R,2R)-2-(difluoromethoxy)cyclobutyl]carbamoyl]-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridin-7-yl]-N-methylcarbamate has a molecular weight of 597.58 g/mol, XLogP of 4.38, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[[(1R,2R)-2-(difluoromethoxy)cyclobutyl]carbamoyl]-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridin-7-yl]-N-methylcarbamate is sourced from PubChem (CID 177200132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).