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

C23H24N6O — CID 163390500

IUPAC6-N-[[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethoxy)-4-pyridinyl]methyl]isoquinoline-1,6-diamine
SMILESNc1nccc2cc(NCc3ccnc(OCC4CCn5ccnc5C4)c3)ccc12
InChIInChI=1S/C23H24N6O/c24-23-20-2-1-19(13-18(20)4-7-27-23)28-14-16-3-6-26-22(12-16)30-15-17-5-9-29-10-8-25-21(29)11-17/h1-4,6-8,10,12-13,17,28H,5,9,11,14-15H2,(H2,24,27)
InChIKeyRNYFAJPMYTZRIV-UHFFFAOYSA-N
MW400.49 g/mol
LogP3.66
Rot. Bonds6

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

6-N-[[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethoxy)-4-pyridinyl]methyl]isoquinoline-1,6-diamine (PubChem CID 163390500) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is 6-N-[[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethoxy)-4-pyridinyl]methyl]isoquinoline-1,6-diamine.

Molecular Properties

Compound Name6-N-[[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethoxy)-4-pyridinyl]methyl]isoquinoline-1,6-diamine
PubChem CID163390500
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC Name6-N-[[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethoxy)-4-pyridinyl]methyl]isoquinoline-1,6-diamine
SMILESNc1nccc2cc(NCc3ccnc(OCC4CCn5ccnc5C4)c3)ccc12
InChIInChI=1S/C23H24N6O/c24-23-20-2-1-19(13-18(20)4-7-27-23)28-14-16-3-6-26-22(12-16)30-15-17-5-9-29-10-8-25-21(29)11-17/h1-4,6-8,10,12-13,17,28H,5,9,11,14-15H2,(H2,24,27)
InChIKeyRNYFAJPMYTZRIV-UHFFFAOYSA-N
XLogP3.66
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

[6-[[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethoxy)-4-pyridinyl]methylamino]isoquinolin-1-yl] carbamate
CID 175496799
methyl N-[6-[[2-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methoxy]-4-pyridinyl]methylamino]isoquinolin-1-yl]carbamate
CID 169100191
[6-[[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethoxy)-3-pyridinyl]methylamino]isoquinolin-1-yl] carbamate
CID 175496830
4-chloro-6-N-[[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yloxy)-4-pyridinyl]methyl]isoquinoline-1,6-diamine
CID 171362825
[6-[[2-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]methylamino]isoquinolin-1-yl] carbamate
CID 175496845
6-N-[[2-[(4-fluoro-1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]methyl]isoquinoline-1,6-diamine
CID 171362814
methyl N-[6-[[2-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]methylamino]isoquinolin-1-yl]carbamate
CID 163390471
7-[(5-methyl-2-pyridinyl)oxymethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 163390460
6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethoxy)pyridine-3-carbonitrile
CID 163390436
5-N-[(1-aminoisoquinolin-6-yl)methyl]-2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]pyrazine-2,5-diamine
CID 166028313
N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-6-ethyl-2-methylpyrimidin-4-amine
CID 133460609
N-methyl-1-[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methanamine
CID 98013239

Frequently Asked Questions

What is the IUPAC name of 6-N-[[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethoxy)-4-pyridinyl]methyl]isoquinoline-1,6-diamine?
The IUPAC name of 6-N-[[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethoxy)-4-pyridinyl]methyl]isoquinoline-1,6-diamine (CID 163390500) is 6-N-[[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethoxy)-4-pyridinyl]methyl]isoquinoline-1,6-diamine.
What is the SMILES notation for 6-N-[[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethoxy)-4-pyridinyl]methyl]isoquinoline-1,6-diamine?
The canonical SMILES for 6-N-[[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethoxy)-4-pyridinyl]methyl]isoquinoline-1,6-diamine is Nc1nccc2cc(NCc3ccnc(OCC4CCn5ccnc5C4)c3)ccc12.
What is the InChIKey of 6-N-[[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethoxy)-4-pyridinyl]methyl]isoquinoline-1,6-diamine?
The InChIKey is RNYFAJPMYTZRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c24-23-20-2-1-19(13-18(20)4-7-27-23)28-14-16-3-6-26-22(12-16)30-15-17-5-9-29-10-8-25-21(29)11-17/h1-4,6-8,10,12-13,17,28H,5,9,11,14-15H2,(H2,24,27).
What are the key properties of 6-N-[[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethoxy)-4-pyridinyl]methyl]isoquinoline-1,6-diamine?
6-N-[[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethoxy)-4-pyridinyl]methyl]isoquinoline-1,6-diamine has a molecular weight of 400.49 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethoxy)-4-pyridinyl]methyl]isoquinoline-1,6-diamine is sourced from PubChem (CID 163390500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).