N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-(2-hydroxy-2-bicyclo[3.1.0]hexanyl)propanamide

C20H23F3N4O2 — CID 167288247

IUPACN-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-(2-hydroxy-2-bicyclo[3.1.0]hexanyl)propanamide
SMILESO=C(CCC1(O)CCC2CC21)Nc1nc2ccc(C(F)(F)F)nc2n1C1CCC1
InChIInChI=1S/C20H23F3N4O2/c21-20(22,23)15-5-4-14-17(25-15)27(12-2-1-3-12)18(24-14)26-16(28)7-9-19(29)8-6-11-10-13(11)19/h4-5,11-13,29H,1-3,6-10H2,(H,24,26,28)
InChIKeyUDMQEGUYUYONKB-UHFFFAOYSA-N
MW408.42 g/mol
LogP4.05
Rot. Bonds5

About N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-(2-hydroxy-2-bicyclo[3.1.0]hexanyl)propanamide

N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-(2-hydroxy-2-bicyclo[3.1.0]hexanyl)propanamide (PubChem CID 167288247) has the molecular formula C20H23F3N4O2 and a molecular weight of 408.42 g/mol. Its IUPAC name is N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-(2-hydroxy-2-bicyclo[3.1.0]hexanyl)propanamide.

Molecular Properties

Compound NameN-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-(2-hydroxy-2-bicyclo[3.1.0]hexanyl)propanamide
PubChem CID167288247
Molecular FormulaC20H23F3N4O2
Molecular Weight408.42 g/mol
Exact Mass408.18
IUPAC NameN-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-(2-hydroxy-2-bicyclo[3.1.0]hexanyl)propanamide
SMILESO=C(CCC1(O)CCC2CC21)Nc1nc2ccc(C(F)(F)F)nc2n1C1CCC1
InChIInChI=1S/C20H23F3N4O2/c21-20(22,23)15-5-4-14-17(25-15)27(12-2-1-3-12)18(24-14)26-16(28)7-9-19(29)8-6-11-10-13(11)19/h4-5,11-13,29H,1-3,6-10H2,(H,24,26,28)
InChIKeyUDMQEGUYUYONKB-UHFFFAOYSA-N
XLogP4.05
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.42
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-(2-hydroxy-2-bicyclo[3.1.0]hexanyl)propanamide?
The IUPAC name of N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-(2-hydroxy-2-bicyclo[3.1.0]hexanyl)propanamide (CID 167288247) is N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-(2-hydroxy-2-bicyclo[3.1.0]hexanyl)propanamide.
What is the SMILES notation for N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-(2-hydroxy-2-bicyclo[3.1.0]hexanyl)propanamide?
The canonical SMILES for N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-(2-hydroxy-2-bicyclo[3.1.0]hexanyl)propanamide is O=C(CCC1(O)CCC2CC21)Nc1nc2ccc(C(F)(F)F)nc2n1C1CCC1.
What is the InChIKey of N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-(2-hydroxy-2-bicyclo[3.1.0]hexanyl)propanamide?
The InChIKey is UDMQEGUYUYONKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O2/c21-20(22,23)15-5-4-14-17(25-15)27(12-2-1-3-12)18(24-14)26-16(28)7-9-19(29)8-6-11-10-13(11)19/h4-5,11-13,29H,1-3,6-10H2,(H,24,26,28).
What are the key properties of N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-(2-hydroxy-2-bicyclo[3.1.0]hexanyl)propanamide?
N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-(2-hydroxy-2-bicyclo[3.1.0]hexanyl)propanamide has a molecular weight of 408.42 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-(2-hydroxy-2-bicyclo[3.1.0]hexanyl)propanamide is sourced from PubChem (CID 167288247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).