N-[6-methoxy-5-(3-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]-2-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-8-amine

C18H16F3N7O — CID 46244671

IUPACN-[6-methoxy-5-(3-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]-2-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-8-amine
SMILESCOc1nc(Nc2cccn3cc(CC(F)(F)F)nc23)ccc1-n1cnc(C)n1
InChIInChI=1S/C18H16F3N7O/c1-11-22-10-28(26-11)14-5-6-15(25-17(14)29-2)24-13-4-3-7-27-9-12(23-16(13)27)8-18(19,20)21/h3-7,9-10H,8H2,1-2H3,(H,24,25)
InChIKeyDTTXKQSVUCAIIP-UHFFFAOYSA-N
MW403.37 g/mol
LogP3.48
Rot. Bonds5

About N-[6-methoxy-5-(3-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]-2-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-8-amine

N-[6-methoxy-5-(3-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]-2-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-8-amine (PubChem CID 46244671) has the molecular formula C18H16F3N7O and a molecular weight of 403.37 g/mol. Its IUPAC name is N-[6-methoxy-5-(3-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]-2-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-8-amine.

Molecular Properties

Compound NameN-[6-methoxy-5-(3-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]-2-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-8-amine
PubChem CID46244671
Molecular FormulaC18H16F3N7O
Molecular Weight403.37 g/mol
Exact Mass403.14
IUPAC NameN-[6-methoxy-5-(3-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]-2-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-8-amine
SMILESCOc1nc(Nc2cccn3cc(CC(F)(F)F)nc23)ccc1-n1cnc(C)n1
InChIInChI=1S/C18H16F3N7O/c1-11-22-10-28(26-11)14-5-6-15(25-17(14)29-2)24-13-4-3-7-27-9-12(23-16(13)27)8-18(19,20)21/h3-7,9-10H,8H2,1-2H3,(H,24,25)
InChIKeyDTTXKQSVUCAIIP-UHFFFAOYSA-N
XLogP3.48
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.37
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-methoxy-5-(3-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]-2-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-8-amine?
The IUPAC name of N-[6-methoxy-5-(3-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]-2-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-8-amine (CID 46244671) is N-[6-methoxy-5-(3-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]-2-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-8-amine.
What is the SMILES notation for N-[6-methoxy-5-(3-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]-2-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-8-amine?
The canonical SMILES for N-[6-methoxy-5-(3-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]-2-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-8-amine is COc1nc(Nc2cccn3cc(CC(F)(F)F)nc23)ccc1-n1cnc(C)n1.
What is the InChIKey of N-[6-methoxy-5-(3-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]-2-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-8-amine?
The InChIKey is DTTXKQSVUCAIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N7O/c1-11-22-10-28(26-11)14-5-6-15(25-17(14)29-2)24-13-4-3-7-27-9-12(23-16(13)27)8-18(19,20)21/h3-7,9-10H,8H2,1-2H3,(H,24,25).
What are the key properties of N-[6-methoxy-5-(3-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]-2-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-8-amine?
N-[6-methoxy-5-(3-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]-2-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-8-amine has a molecular weight of 403.37 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methoxy-5-(3-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]-2-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-8-amine is sourced from PubChem (CID 46244671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).