[6-[[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethoxy)-4-pyridinyl]methylamino]isoquinolin-1-yl] carbamate

C24H24N6O3 — CID 175496799

IUPAC[6-[[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethoxy)-4-pyridinyl]methylamino]isoquinolin-1-yl] carbamate
SMILESNC(=O)Oc1nccc2cc(NCc3ccnc(OCC4CCn5ccnc5C4)c3)ccc12
InChIInChI=1S/C24H24N6O3/c25-24(31)33-23-20-2-1-19(13-18(20)4-7-28-23)29-14-16-3-6-27-22(12-16)32-15-17-5-9-30-10-8-26-21(30)11-17/h1-4,6-8,10,12-13,17,29H,5,9,11,14-15H2,(H2,25,31)
InChIKeySFKKODQZRIVAPL-UHFFFAOYSA-N
MW444.50 g/mol
LogP3.54
Rot. Bonds7

About [6-[[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethoxy)-4-pyridinyl]methylamino]isoquinolin-1-yl] carbamate

[6-[[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethoxy)-4-pyridinyl]methylamino]isoquinolin-1-yl] carbamate (PubChem CID 175496799) has the molecular formula C24H24N6O3 and a molecular weight of 444.50 g/mol. Its IUPAC name is [6-[[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethoxy)-4-pyridinyl]methylamino]isoquinolin-1-yl] carbamate.

Molecular Properties

Compound Name[6-[[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethoxy)-4-pyridinyl]methylamino]isoquinolin-1-yl] carbamate
PubChem CID175496799
Molecular FormulaC24H24N6O3
Molecular Weight444.50 g/mol
Exact Mass444.19
IUPAC Name[6-[[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethoxy)-4-pyridinyl]methylamino]isoquinolin-1-yl] carbamate
SMILESNC(=O)Oc1nccc2cc(NCc3ccnc(OCC4CCn5ccnc5C4)c3)ccc12
InChIInChI=1S/C24H24N6O3/c25-24(31)33-23-20-2-1-19(13-18(20)4-7-28-23)29-14-16-3-6-27-22(12-16)32-15-17-5-9-30-10-8-26-21(30)11-17/h1-4,6-8,10,12-13,17,29H,5,9,11,14-15H2,(H2,25,31)
InChIKeySFKKODQZRIVAPL-UHFFFAOYSA-N
XLogP3.54
TPSA117.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [6-[[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethoxy)-4-pyridinyl]methylamino]isoquinolin-1-yl] carbamate with MolForge

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Related Compounds

[6-[[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethoxy)-3-pyridinyl]methylamino]isoquinolin-1-yl] carbamate
CID 175496830
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-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methoxy]-4-pyridinyl]methylamino]isoquinolin-1-yl]carbamate
CID 169100191
methyl N-[6-[[2-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]methylamino]isoquinolin-1-yl]carbamate
CID 163390471
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
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
6-N-[[2-[(4-fluoro-1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]methyl]isoquinoline-1,6-diamine
CID 171362814
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
[1-(oxolan-3-ylmethoxy)isoquinolin-6-yl]carbamic acid
CID 146586192
1-(2-methyl-4-pyridinyl)-3-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea
CID 129333293

Frequently Asked Questions

What is the IUPAC name of [6-[[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethoxy)-4-pyridinyl]methylamino]isoquinolin-1-yl] carbamate?
The IUPAC name of [6-[[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethoxy)-4-pyridinyl]methylamino]isoquinolin-1-yl] carbamate (CID 175496799) is [6-[[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethoxy)-4-pyridinyl]methylamino]isoquinolin-1-yl] carbamate.
What is the SMILES notation for [6-[[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethoxy)-4-pyridinyl]methylamino]isoquinolin-1-yl] carbamate?
The canonical SMILES for [6-[[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethoxy)-4-pyridinyl]methylamino]isoquinolin-1-yl] carbamate is NC(=O)Oc1nccc2cc(NCc3ccnc(OCC4CCn5ccnc5C4)c3)ccc12.
What is the InChIKey of [6-[[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethoxy)-4-pyridinyl]methylamino]isoquinolin-1-yl] carbamate?
The InChIKey is SFKKODQZRIVAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3/c25-24(31)33-23-20-2-1-19(13-18(20)4-7-28-23)29-14-16-3-6-27-22(12-16)32-15-17-5-9-30-10-8-26-21(30)11-17/h1-4,6-8,10,12-13,17,29H,5,9,11,14-15H2,(H2,25,31).
What are the key properties of [6-[[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethoxy)-4-pyridinyl]methylamino]isoquinolin-1-yl] carbamate?
[6-[[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethoxy)-4-pyridinyl]methylamino]isoquinolin-1-yl] carbamate has a molecular weight of 444.50 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethoxy)-4-pyridinyl]methylamino]isoquinolin-1-yl] carbamate is sourced from PubChem (CID 175496799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).