N-[3-tert-butyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2-(3,3-difluorocyclobutyl)acetamide

C19H26F2N4O2 — CID 130361408

IUPACN-[3-tert-butyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2-(3,3-difluorocyclobutyl)acetamide
SMILESCC(C)(O)c1ccc2nc(NC(=O)CC3CC(F)(F)C3)n(C(C)(C)C)c2n1
InChIInChI=1S/C19H26F2N4O2/c1-17(2,3)25-15-12(6-7-13(23-15)18(4,5)27)22-16(25)24-14(26)8-11-9-19(20,21)10-11/h6-7,11,27H,8-10H2,1-5H3,(H,22,24,26)
InChIKeyJKKXILIEUMCTTM-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.79
Rot. Bonds4

About N-[3-tert-butyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2-(3,3-difluorocyclobutyl)acetamide

N-[3-tert-butyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2-(3,3-difluorocyclobutyl)acetamide (PubChem CID 130361408) has the molecular formula C19H26F2N4O2 and a molecular weight of 380.44 g/mol. Its IUPAC name is N-[3-tert-butyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2-(3,3-difluorocyclobutyl)acetamide.

Molecular Properties

Compound NameN-[3-tert-butyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2-(3,3-difluorocyclobutyl)acetamide
PubChem CID130361408
Molecular FormulaC19H26F2N4O2
Molecular Weight380.44 g/mol
Exact Mass380.20
IUPAC NameN-[3-tert-butyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2-(3,3-difluorocyclobutyl)acetamide
SMILESCC(C)(O)c1ccc2nc(NC(=O)CC3CC(F)(F)C3)n(C(C)(C)C)c2n1
InChIInChI=1S/C19H26F2N4O2/c1-17(2,3)25-15-12(6-7-13(23-15)18(4,5)27)22-16(25)24-14(26)8-11-9-19(20,21)10-11/h6-7,11,27H,8-10H2,1-5H3,(H,22,24,26)
InChIKeyJKKXILIEUMCTTM-UHFFFAOYSA-N
XLogP3.79
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-tert-butyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2-(3,3-difluorocyclobutyl)acetamide?
The IUPAC name of N-[3-tert-butyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2-(3,3-difluorocyclobutyl)acetamide (CID 130361408) is N-[3-tert-butyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2-(3,3-difluorocyclobutyl)acetamide.
What is the SMILES notation for N-[3-tert-butyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2-(3,3-difluorocyclobutyl)acetamide?
The canonical SMILES for N-[3-tert-butyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2-(3,3-difluorocyclobutyl)acetamide is CC(C)(O)c1ccc2nc(NC(=O)CC3CC(F)(F)C3)n(C(C)(C)C)c2n1.
What is the InChIKey of N-[3-tert-butyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2-(3,3-difluorocyclobutyl)acetamide?
The InChIKey is JKKXILIEUMCTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F2N4O2/c1-17(2,3)25-15-12(6-7-13(23-15)18(4,5)27)22-16(25)24-14(26)8-11-9-19(20,21)10-11/h6-7,11,27H,8-10H2,1-5H3,(H,22,24,26).
What are the key properties of N-[3-tert-butyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2-(3,3-difluorocyclobutyl)acetamide?
N-[3-tert-butyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2-(3,3-difluorocyclobutyl)acetamide has a molecular weight of 380.44 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-tert-butyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2-(3,3-difluorocyclobutyl)acetamide is sourced from PubChem (CID 130361408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).