1-methyl-N-(2,2,3,3-tetrafluoropropyl)imidazo[4,5-c]pyridin-4-amine

C10H10F4N4 — CID 114169666

IUPAC1-methyl-N-(2,2,3,3-tetrafluoropropyl)imidazo[4,5-c]pyridin-4-amine
SMILESCn1cnc2c(NCC(F)(F)C(F)F)nccc21
InChIInChI=1S/C10H10F4N4/c1-18-5-17-7-6(18)2-3-15-8(7)16-4-10(13,14)9(11)12/h2-3,5,9H,4H2,1H3,(H,15,16)
InChIKeyTWQYKMMDECGDDN-UHFFFAOYSA-N
MW262.21 g/mol
LogP2.28
Rot. Bonds4

About 1-methyl-N-(2,2,3,3-tetrafluoropropyl)imidazo[4,5-c]pyridin-4-amine

1-methyl-N-(2,2,3,3-tetrafluoropropyl)imidazo[4,5-c]pyridin-4-amine (PubChem CID 114169666) has the molecular formula C10H10F4N4 and a molecular weight of 262.21 g/mol. Its IUPAC name is 1-methyl-N-(2,2,3,3-tetrafluoropropyl)imidazo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound Name1-methyl-N-(2,2,3,3-tetrafluoropropyl)imidazo[4,5-c]pyridin-4-amine
PubChem CID114169666
Molecular FormulaC10H10F4N4
Molecular Weight262.21 g/mol
Exact Mass262.08
IUPAC Name1-methyl-N-(2,2,3,3-tetrafluoropropyl)imidazo[4,5-c]pyridin-4-amine
SMILESCn1cnc2c(NCC(F)(F)C(F)F)nccc21
InChIInChI=1S/C10H10F4N4/c1-18-5-17-7-6(18)2-3-15-8(7)16-4-10(13,14)9(11)12/h2-3,5,9H,4H2,1H3,(H,15,16)
InChIKeyTWQYKMMDECGDDN-UHFFFAOYSA-N
XLogP2.28
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.21
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2,2,3,3-tetrafluoropropyl)imidazo[4,5-c]pyridin-4-amine?
The IUPAC name of 1-methyl-N-(2,2,3,3-tetrafluoropropyl)imidazo[4,5-c]pyridin-4-amine (CID 114169666) is 1-methyl-N-(2,2,3,3-tetrafluoropropyl)imidazo[4,5-c]pyridin-4-amine.
What is the SMILES notation for 1-methyl-N-(2,2,3,3-tetrafluoropropyl)imidazo[4,5-c]pyridin-4-amine?
The canonical SMILES for 1-methyl-N-(2,2,3,3-tetrafluoropropyl)imidazo[4,5-c]pyridin-4-amine is Cn1cnc2c(NCC(F)(F)C(F)F)nccc21.
What is the InChIKey of 1-methyl-N-(2,2,3,3-tetrafluoropropyl)imidazo[4,5-c]pyridin-4-amine?
The InChIKey is TWQYKMMDECGDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F4N4/c1-18-5-17-7-6(18)2-3-15-8(7)16-4-10(13,14)9(11)12/h2-3,5,9H,4H2,1H3,(H,15,16).
What are the key properties of 1-methyl-N-(2,2,3,3-tetrafluoropropyl)imidazo[4,5-c]pyridin-4-amine?
1-methyl-N-(2,2,3,3-tetrafluoropropyl)imidazo[4,5-c]pyridin-4-amine has a molecular weight of 262.21 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2,2,3,3-tetrafluoropropyl)imidazo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 114169666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).