N-pyrrolidin-3-yl-6-[7-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine

C18H18F3N5O — CID 166961993

IUPACN-pyrrolidin-3-yl-6-[7-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine
SMILESFC(F)(F)COc1ccn2c(-c3cccc(NC4CCNC4)n3)cnc2c1
InChIInChI=1S/C18H18F3N5O/c19-18(20,21)11-27-13-5-7-26-15(10-23-17(26)8-13)14-2-1-3-16(25-14)24-12-4-6-22-9-12/h1-3,5,7-8,10,12,22H,4,6,9,11H2,(H,24,25)
InChIKeyQLRNXMWGYGJMTQ-UHFFFAOYSA-N
MW377.37 g/mol
LogP3.11
Rot. Bonds5

About N-pyrrolidin-3-yl-6-[7-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine

N-pyrrolidin-3-yl-6-[7-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine (PubChem CID 166961993) has the molecular formula C18H18F3N5O and a molecular weight of 377.37 g/mol. Its IUPAC name is N-pyrrolidin-3-yl-6-[7-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-pyrrolidin-3-yl-6-[7-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine
PubChem CID166961993
Molecular FormulaC18H18F3N5O
Molecular Weight377.37 g/mol
Exact Mass377.15
IUPAC NameN-pyrrolidin-3-yl-6-[7-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine
SMILESFC(F)(F)COc1ccn2c(-c3cccc(NC4CCNC4)n3)cnc2c1
InChIInChI=1S/C18H18F3N5O/c19-18(20,21)11-27-13-5-7-26-15(10-23-17(26)8-13)14-2-1-3-16(25-14)24-12-4-6-22-9-12/h1-3,5,7-8,10,12,22H,4,6,9,11H2,(H,24,25)
InChIKeyQLRNXMWGYGJMTQ-UHFFFAOYSA-N
XLogP3.11
TPSA63.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-pyrrolidin-3-yl-6-[7-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine?
The IUPAC name of N-pyrrolidin-3-yl-6-[7-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine (CID 166961993) is N-pyrrolidin-3-yl-6-[7-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine.
What is the SMILES notation for N-pyrrolidin-3-yl-6-[7-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine?
The canonical SMILES for N-pyrrolidin-3-yl-6-[7-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine is FC(F)(F)COc1ccn2c(-c3cccc(NC4CCNC4)n3)cnc2c1.
What is the InChIKey of N-pyrrolidin-3-yl-6-[7-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine?
The InChIKey is QLRNXMWGYGJMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5O/c19-18(20,21)11-27-13-5-7-26-15(10-23-17(26)8-13)14-2-1-3-16(25-14)24-12-4-6-22-9-12/h1-3,5,7-8,10,12,22H,4,6,9,11H2,(H,24,25).
What are the key properties of N-pyrrolidin-3-yl-6-[7-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine?
N-pyrrolidin-3-yl-6-[7-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine has a molecular weight of 377.37 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrrolidin-3-yl-6-[7-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine is sourced from PubChem (CID 166961993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).