6-N-[[2-[(4-fluoro-1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]methyl]isoquinoline-1,6-diamine

C22H26FN5O — CID 171362814

IUPAC6-N-[[2-[(4-fluoro-1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]methyl]isoquinoline-1,6-diamine
SMILESCN1CCC(F)(COc2cc(CNc3ccc4c(N)nccc4c3)ccn2)CC1
InChIInChI=1S/C22H26FN5O/c1-28-10-6-22(23,7-11-28)15-29-20-12-16(4-8-25-20)14-27-18-2-3-19-17(13-18)5-9-26-21(19)24/h2-5,8-9,12-13,27H,6-7,10-11,14-15H2,1H3,(H2,24,26)
InChIKeyBFQNKMMUOHHACP-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.64
Rot. Bonds6

About 6-N-[[2-[(4-fluoro-1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]methyl]isoquinoline-1,6-diamine

6-N-[[2-[(4-fluoro-1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]methyl]isoquinoline-1,6-diamine (PubChem CID 171362814) has the molecular formula C22H26FN5O and a molecular weight of 395.48 g/mol. Its IUPAC name is 6-N-[[2-[(4-fluoro-1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]methyl]isoquinoline-1,6-diamine.

Molecular Properties

Compound Name6-N-[[2-[(4-fluoro-1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]methyl]isoquinoline-1,6-diamine
PubChem CID171362814
Molecular FormulaC22H26FN5O
Molecular Weight395.48 g/mol
Exact Mass395.21
IUPAC Name6-N-[[2-[(4-fluoro-1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]methyl]isoquinoline-1,6-diamine
SMILESCN1CCC(F)(COc2cc(CNc3ccc4c(N)nccc4c3)ccn2)CC1
InChIInChI=1S/C22H26FN5O/c1-28-10-6-22(23,7-11-28)15-29-20-12-16(4-8-25-20)14-27-18-2-3-19-17(13-18)5-9-26-21(19)24/h2-5,8-9,12-13,27H,6-7,10-11,14-15H2,1H3,(H2,24,26)
InChIKeyBFQNKMMUOHHACP-UHFFFAOYSA-N
XLogP3.64
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-N-[[2-[(4-fluoro-1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]methyl]isoquinoline-1,6-diamine with MolForge

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Launch Full Analysis

Related Compounds

6-N-[[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethoxy)-4-pyridinyl]methyl]isoquinoline-1,6-diamine
CID 163390500
[6-[[2-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]methylamino]isoquinolin-1-yl] carbamate
CID 175496845
methyl N-[6-[[2-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]methylamino]isoquinolin-1-yl]carbamate
CID 163390471
5-N-[(1-aminoisoquinolin-6-yl)methyl]-2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]pyrazine-2,5-diamine
CID 166028313
6-(methylaminomethyl)isoquinolin-1-amine
CID 139340899
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-(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
1-[6-[(1-aminoisoquinolin-6-yl)methylamino]-2-pyridinyl]-3-(1-methylpiperidin-4-yl)propan-1-one
CID 167548640
N-[(1-aminoisoquinolin-6-yl)methyl]-2-[2-(1-methylpiperidin-4-yl)ethyl]pyrazole-3-carboxamide
CID 165154186
N-[(1-aminoisoquinolin-6-yl)methyl]-1-[2-(1-methylpiperidin-4-yl)ethyl]pyrazole-3-carboxamide;methane
CID 167625928
N-[(1-aminoisoquinolin-6-yl)methyl]-3-methyl-4-[(1-methylpiperidin-4-yl)methylamino]-1,2-thiazole-5-carboxamide;methane
CID 167671950

Frequently Asked Questions

What is the IUPAC name of 6-N-[[2-[(4-fluoro-1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]methyl]isoquinoline-1,6-diamine?
The IUPAC name of 6-N-[[2-[(4-fluoro-1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]methyl]isoquinoline-1,6-diamine (CID 171362814) is 6-N-[[2-[(4-fluoro-1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]methyl]isoquinoline-1,6-diamine.
What is the SMILES notation for 6-N-[[2-[(4-fluoro-1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]methyl]isoquinoline-1,6-diamine?
The canonical SMILES for 6-N-[[2-[(4-fluoro-1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]methyl]isoquinoline-1,6-diamine is CN1CCC(F)(COc2cc(CNc3ccc4c(N)nccc4c3)ccn2)CC1.
What is the InChIKey of 6-N-[[2-[(4-fluoro-1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]methyl]isoquinoline-1,6-diamine?
The InChIKey is BFQNKMMUOHHACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O/c1-28-10-6-22(23,7-11-28)15-29-20-12-16(4-8-25-20)14-27-18-2-3-19-17(13-18)5-9-26-21(19)24/h2-5,8-9,12-13,27H,6-7,10-11,14-15H2,1H3,(H2,24,26).
What are the key properties of 6-N-[[2-[(4-fluoro-1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]methyl]isoquinoline-1,6-diamine?
6-N-[[2-[(4-fluoro-1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]methyl]isoquinoline-1,6-diamine has a molecular weight of 395.48 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[[2-[(4-fluoro-1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]methyl]isoquinoline-1,6-diamine is sourced from PubChem (CID 171362814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).