[6-[[2-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]methylamino]isoquinolin-1-yl] carbamate

C23H27N5O3 — CID 175496845

IUPAC[6-[[2-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]methylamino]isoquinolin-1-yl] carbamate
SMILESCN1CCC(COc2cc(CNc3ccc4c(OC(N)=O)nccc4c3)ccn2)CC1
InChIInChI=1S/C23H27N5O3/c1-28-10-6-16(7-11-28)15-30-21-12-17(4-8-25-21)14-27-19-2-3-20-18(13-19)5-9-26-22(20)31-23(24)29/h2-5,8-9,12-13,16,27H,6-7,10-11,14-15H2,1H3,(H2,24,29)
InChIKeyDUEOKTXIPUMPHV-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.42
Rot. Bonds7

About [6-[[2-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]methylamino]isoquinolin-1-yl] carbamate

[6-[[2-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]methylamino]isoquinolin-1-yl] carbamate (PubChem CID 175496845) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is [6-[[2-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]methylamino]isoquinolin-1-yl] carbamate.

Molecular Properties

Compound Name[6-[[2-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]methylamino]isoquinolin-1-yl] carbamate
PubChem CID175496845
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC Name[6-[[2-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]methylamino]isoquinolin-1-yl] carbamate
SMILESCN1CCC(COc2cc(CNc3ccc4c(OC(N)=O)nccc4c3)ccn2)CC1
InChIInChI=1S/C23H27N5O3/c1-28-10-6-16(7-11-28)15-30-21-12-17(4-8-25-21)14-27-19-2-3-20-18(13-19)5-9-26-22(20)31-23(24)29/h2-5,8-9,12-13,16,27H,6-7,10-11,14-15H2,1H3,(H2,24,29)
InChIKeyDUEOKTXIPUMPHV-UHFFFAOYSA-N
XLogP3.42
TPSA102.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [6-[[2-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]methylamino]isoquinolin-1-yl] carbamate with MolForge

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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-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]methylamino]isoquinolin-1-yl]carbamate
CID 163390471
[6-[[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethoxy)-3-pyridinyl]methylamino]isoquinolin-1-yl] carbamate
CID 175496830
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-N-[[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethoxy)-4-pyridinyl]methyl]isoquinoline-1,6-diamine
CID 163390500
6-N-[[2-[(4-fluoro-1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]methyl]isoquinoline-1,6-diamine
CID 171362814
methyl 6-[[6-[(1-methylpiperidin-4-yl)methoxy]-3-pyridinyl]methylamino]isoquinoline-4-carboxylate
CID 163390359
3-(1-aminoisoquinolin-6-yl)-1-[5-chloro-2-[(1-methylpiperidin-4-yl)methoxy]-3-pyridinyl]propan-1-one;methane
CID 167680257
benzyl 4-[[5-[[[1-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]isoquinolin-6-yl]amino]methyl]-2-pyridinyl]oxymethyl]piperidine-1-carboxylate;molecular hydrogen
CID 163390357
N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-6-ethyl-2-methylpyrimidin-4-amine
CID 133460609
N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-3-methyl-5-nitroimidazol-4-amine
CID 56784891
4-methyl-N-[1-(oxan-4-ylmethoxy)isoquinolin-6-yl]benzamide
CID 153496100

Frequently Asked Questions

What is the IUPAC name of [6-[[2-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]methylamino]isoquinolin-1-yl] carbamate?
The IUPAC name of [6-[[2-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]methylamino]isoquinolin-1-yl] carbamate (CID 175496845) is [6-[[2-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]methylamino]isoquinolin-1-yl] carbamate.
What is the SMILES notation for [6-[[2-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]methylamino]isoquinolin-1-yl] carbamate?
The canonical SMILES for [6-[[2-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]methylamino]isoquinolin-1-yl] carbamate is CN1CCC(COc2cc(CNc3ccc4c(OC(N)=O)nccc4c3)ccn2)CC1.
What is the InChIKey of [6-[[2-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]methylamino]isoquinolin-1-yl] carbamate?
The InChIKey is DUEOKTXIPUMPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-28-10-6-16(7-11-28)15-30-21-12-17(4-8-25-21)14-27-19-2-3-20-18(13-19)5-9-26-22(20)31-23(24)29/h2-5,8-9,12-13,16,27H,6-7,10-11,14-15H2,1H3,(H2,24,29).
What are the key properties of [6-[[2-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]methylamino]isoquinolin-1-yl] carbamate?
[6-[[2-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]methylamino]isoquinolin-1-yl] carbamate has a molecular weight of 421.50 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[2-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]methylamino]isoquinolin-1-yl] carbamate is sourced from PubChem (CID 175496845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).