6-N-[[2-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methoxy]-4-pyridinyl]methyl]isoquinoline-1,6-diamine

C24H23F3N6O — CID 171362790

IUPAC6-N-[[2-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methoxy]-4-pyridinyl]methyl]isoquinoline-1,6-diamine
SMILESNc1nccc2cc(NCc3ccnc(OCC4CCn5cc(C(F)(F)F)nc5C4)c3)ccc12
InChIInChI=1S/C24H23F3N6O/c25-24(26,27)20-13-33-8-5-16(9-21(33)32-20)14-34-22-10-15(3-6-29-22)12-31-18-1-2-19-17(11-18)4-7-30-23(19)28/h1-4,6-7,10-11,13,16,31H,5,8-9,12,14H2,(H2,28,30)
InChIKeyYEKLWIQAYABVHF-UHFFFAOYSA-N
MW468.48 g/mol
LogP4.68
Rot. Bonds6

About 6-N-[[2-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methoxy]-4-pyridinyl]methyl]isoquinoline-1,6-diamine

6-N-[[2-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methoxy]-4-pyridinyl]methyl]isoquinoline-1,6-diamine (PubChem CID 171362790) has the molecular formula C24H23F3N6O and a molecular weight of 468.48 g/mol. Its IUPAC name is 6-N-[[2-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methoxy]-4-pyridinyl]methyl]isoquinoline-1,6-diamine.

Molecular Properties

Compound Name6-N-[[2-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methoxy]-4-pyridinyl]methyl]isoquinoline-1,6-diamine
PubChem CID171362790
Molecular FormulaC24H23F3N6O
Molecular Weight468.48 g/mol
Exact Mass468.19
IUPAC Name6-N-[[2-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methoxy]-4-pyridinyl]methyl]isoquinoline-1,6-diamine
SMILESNc1nccc2cc(NCc3ccnc(OCC4CCn5cc(C(F)(F)F)nc5C4)c3)ccc12
InChIInChI=1S/C24H23F3N6O/c25-24(26,27)20-13-33-8-5-16(9-21(33)32-20)14-34-22-10-15(3-6-29-22)12-31-18-1-2-19-17(11-18)4-7-30-23(19)28/h1-4,6-7,10-11,13,16,31H,5,8-9,12,14H2,(H2,28,30)
InChIKeyYEKLWIQAYABVHF-UHFFFAOYSA-N
XLogP4.68
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.48
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-N-[[2-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methoxy]-4-pyridinyl]methyl]isoquinoline-1,6-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-N-[[2-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methoxy]-4-pyridinyl]methyl]isoquinoline-1,6-diamine?
The IUPAC name of 6-N-[[2-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methoxy]-4-pyridinyl]methyl]isoquinoline-1,6-diamine (CID 171362790) is 6-N-[[2-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methoxy]-4-pyridinyl]methyl]isoquinoline-1,6-diamine.
What is the SMILES notation for 6-N-[[2-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methoxy]-4-pyridinyl]methyl]isoquinoline-1,6-diamine?
The canonical SMILES for 6-N-[[2-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methoxy]-4-pyridinyl]methyl]isoquinoline-1,6-diamine is Nc1nccc2cc(NCc3ccnc(OCC4CCn5cc(C(F)(F)F)nc5C4)c3)ccc12.
What is the InChIKey of 6-N-[[2-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methoxy]-4-pyridinyl]methyl]isoquinoline-1,6-diamine?
The InChIKey is YEKLWIQAYABVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N6O/c25-24(26,27)20-13-33-8-5-16(9-21(33)32-20)14-34-22-10-15(3-6-29-22)12-31-18-1-2-19-17(11-18)4-7-30-23(19)28/h1-4,6-7,10-11,13,16,31H,5,8-9,12,14H2,(H2,28,30).
What are the key properties of 6-N-[[2-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methoxy]-4-pyridinyl]methyl]isoquinoline-1,6-diamine?
6-N-[[2-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methoxy]-4-pyridinyl]methyl]isoquinoline-1,6-diamine has a molecular weight of 468.48 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[[2-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methoxy]-4-pyridinyl]methyl]isoquinoline-1,6-diamine is sourced from PubChem (CID 171362790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).