N-(6-azabicyclo[3.2.1]octan-2-yl)-2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine;2,2,2-trifluoroacetic acid

C22H25F5N4O2 — CID 167773693

IUPACN-(6-azabicyclo[3.2.1]octan-2-yl)-2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine;2,2,2-trifluoroacetic acid
SMILESFc1ccc(-c2cn3c(n2)CCC(NC2CCC4CC2CN4)C3)c(F)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C20H24F2N4.C2HF3O2/c21-13-1-4-16(17(22)8-13)19-11-26-10-15(3-6-20(26)25-19)24-18-5-2-14-7-12(18)9-23-14;3-2(4,5)1(6)7/h1,4,8,11-12,14-15,18,23-24H,2-3,5-7,9-10H2;(H,6,7)
InChIKeyNDCHDBBFOAZVJU-UHFFFAOYSA-N
MW472.46 g/mol
LogP3.51
Rot. Bonds3

About N-(6-azabicyclo[3.2.1]octan-2-yl)-2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine;2,2,2-trifluoroacetic acid

N-(6-azabicyclo[3.2.1]octan-2-yl)-2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine;2,2,2-trifluoroacetic acid (PubChem CID 167773693) has the molecular formula C22H25F5N4O2 and a molecular weight of 472.46 g/mol. Its IUPAC name is N-(6-azabicyclo[3.2.1]octan-2-yl)-2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(6-azabicyclo[3.2.1]octan-2-yl)-2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine;2,2,2-trifluoroacetic acid
PubChem CID167773693
Molecular FormulaC22H25F5N4O2
Molecular Weight472.46 g/mol
Exact Mass472.19
IUPAC NameN-(6-azabicyclo[3.2.1]octan-2-yl)-2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine;2,2,2-trifluoroacetic acid
SMILESFc1ccc(-c2cn3c(n2)CCC(NC2CCC4CC2CN4)C3)c(F)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C20H24F2N4.C2HF3O2/c21-13-1-4-16(17(22)8-13)19-11-26-10-15(3-6-20(26)25-19)24-18-5-2-14-7-12(18)9-23-14;3-2(4,5)1(6)7/h1,4,8,11-12,14-15,18,23-24H,2-3,5-7,9-10H2;(H,6,7)
InChIKeyNDCHDBBFOAZVJU-UHFFFAOYSA-N
XLogP3.51
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.46
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(6-azabicyclo[3.2.1]octan-2-yl)-2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(6-azabicyclo[3.2.1]octan-2-yl)-2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(6-azabicyclo[3.2.1]octan-2-yl)-2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine;2,2,2-trifluoroacetic acid (CID 167773693) is N-(6-azabicyclo[3.2.1]octan-2-yl)-2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(6-azabicyclo[3.2.1]octan-2-yl)-2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(6-azabicyclo[3.2.1]octan-2-yl)-2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine;2,2,2-trifluoroacetic acid is Fc1ccc(-c2cn3c(n2)CCC(NC2CCC4CC2CN4)C3)c(F)c1.O=C(O)C(F)(F)F.
What is the InChIKey of N-(6-azabicyclo[3.2.1]octan-2-yl)-2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine;2,2,2-trifluoroacetic acid?
The InChIKey is NDCHDBBFOAZVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N4.C2HF3O2/c21-13-1-4-16(17(22)8-13)19-11-26-10-15(3-6-20(26)25-19)24-18-5-2-14-7-12(18)9-23-14;3-2(4,5)1(6)7/h1,4,8,11-12,14-15,18,23-24H,2-3,5-7,9-10H2;(H,6,7).
What are the key properties of N-(6-azabicyclo[3.2.1]octan-2-yl)-2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine;2,2,2-trifluoroacetic acid?
N-(6-azabicyclo[3.2.1]octan-2-yl)-2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine;2,2,2-trifluoroacetic acid has a molecular weight of 472.46 g/mol, XLogP of 3.51, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-azabicyclo[3.2.1]octan-2-yl)-2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 167773693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).