3-cyclobutyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-amine;2-N-cyclobutyl-5-(trifluoromethyl)pyridine-2,3-diamine

C21H23F6N7 — CID 166664713

IUPAC3-cyclobutyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-amine;2-N-cyclobutyl-5-(trifluoromethyl)pyridine-2,3-diamine
SMILESNc1cc(C(F)(F)F)cnc1NC1CCC1.Nc1nc2cc(C(F)(F)F)cnc2n1C1CCC1
InChIInChI=1S/C11H11F3N4.C10H12F3N3/c12-11(13,14)6-4-8-9(16-5-6)18(10(15)17-8)7-2-1-3-7;11-10(12,13)6-4-8(14)9(15-5-6)16-7-2-1-3-7/h4-5,7H,1-3H2,(H2,15,17);4-5,7H,1-3,14H2,(H,15,16)
InChIKeyGUZXESGNCLISLV-UHFFFAOYSA-N
MW487.45 g/mol
LogP5.40
Rot. Bonds3

About 3-cyclobutyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-amine;2-N-cyclobutyl-5-(trifluoromethyl)pyridine-2,3-diamine

3-cyclobutyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-amine;2-N-cyclobutyl-5-(trifluoromethyl)pyridine-2,3-diamine (PubChem CID 166664713) has the molecular formula C21H23F6N7 and a molecular weight of 487.45 g/mol. Its IUPAC name is 3-cyclobutyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-amine;2-N-cyclobutyl-5-(trifluoromethyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name3-cyclobutyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-amine;2-N-cyclobutyl-5-(trifluoromethyl)pyridine-2,3-diamine
PubChem CID166664713
Molecular FormulaC21H23F6N7
Molecular Weight487.45 g/mol
Exact Mass487.19
IUPAC Name3-cyclobutyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-amine;2-N-cyclobutyl-5-(trifluoromethyl)pyridine-2,3-diamine
SMILESNc1cc(C(F)(F)F)cnc1NC1CCC1.Nc1nc2cc(C(F)(F)F)cnc2n1C1CCC1
InChIInChI=1S/C11H11F3N4.C10H12F3N3/c12-11(13,14)6-4-8-9(16-5-6)18(10(15)17-8)7-2-1-3-7;11-10(12,13)6-4-8(14)9(15-5-6)16-7-2-1-3-7/h4-5,7H,1-3H2,(H2,15,17);4-5,7H,1-3,14H2,(H,15,16)
InChIKeyGUZXESGNCLISLV-UHFFFAOYSA-N
XLogP5.40
TPSA107.67 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.45
LogP ≤ 55.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-amine;2-N-cyclobutyl-5-(trifluoromethyl)pyridine-2,3-diamine?
The IUPAC name of 3-cyclobutyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-amine;2-N-cyclobutyl-5-(trifluoromethyl)pyridine-2,3-diamine (CID 166664713) is 3-cyclobutyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-amine;2-N-cyclobutyl-5-(trifluoromethyl)pyridine-2,3-diamine.
What is the SMILES notation for 3-cyclobutyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-amine;2-N-cyclobutyl-5-(trifluoromethyl)pyridine-2,3-diamine?
The canonical SMILES for 3-cyclobutyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-amine;2-N-cyclobutyl-5-(trifluoromethyl)pyridine-2,3-diamine is Nc1cc(C(F)(F)F)cnc1NC1CCC1.Nc1nc2cc(C(F)(F)F)cnc2n1C1CCC1.
What is the InChIKey of 3-cyclobutyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-amine;2-N-cyclobutyl-5-(trifluoromethyl)pyridine-2,3-diamine?
The InChIKey is GUZXESGNCLISLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4.C10H12F3N3/c12-11(13,14)6-4-8-9(16-5-6)18(10(15)17-8)7-2-1-3-7;11-10(12,13)6-4-8(14)9(15-5-6)16-7-2-1-3-7/h4-5,7H,1-3H2,(H2,15,17);4-5,7H,1-3,14H2,(H,15,16).
What are the key properties of 3-cyclobutyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-amine;2-N-cyclobutyl-5-(trifluoromethyl)pyridine-2,3-diamine?
3-cyclobutyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-amine;2-N-cyclobutyl-5-(trifluoromethyl)pyridine-2,3-diamine has a molecular weight of 487.45 g/mol, XLogP of 5.40, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-amine;2-N-cyclobutyl-5-(trifluoromethyl)pyridine-2,3-diamine is sourced from PubChem (CID 166664713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).