[6-[[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethoxy)-3-pyridinyl]methylamino]isoquinolin-1-yl] carbamate

C24H24N6O3 — CID 175496830

IUPAC[6-[[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethoxy)-3-pyridinyl]methylamino]isoquinolin-1-yl] carbamate
SMILESNC(=O)Oc1nccc2cc(NCc3ccc(OCC4CCn5ccnc5C4)nc3)ccc12
InChIInChI=1S/C24H24N6O3/c25-24(31)33-23-20-3-2-19(12-18(20)5-7-27-23)28-13-17-1-4-22(29-14-17)32-15-16-6-9-30-10-8-26-21(30)11-16/h1-5,7-8,10,12,14,16,28H,6,9,11,13,15H2,(H2,25,31)
InChIKeyFJCCEAXZIWEPEZ-UHFFFAOYSA-N
MW444.50 g/mol
LogP3.54
Rot. Bonds7

About [6-[[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethoxy)-3-pyridinyl]methylamino]isoquinolin-1-yl] carbamate

[6-[[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethoxy)-3-pyridinyl]methylamino]isoquinolin-1-yl] carbamate (PubChem CID 175496830) has the molecular formula C24H24N6O3 and a molecular weight of 444.50 g/mol. Its IUPAC name is [6-[[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethoxy)-3-pyridinyl]methylamino]isoquinolin-1-yl] carbamate.

Molecular Properties

Compound Name[6-[[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethoxy)-3-pyridinyl]methylamino]isoquinolin-1-yl] carbamate
PubChem CID175496830
Molecular FormulaC24H24N6O3
Molecular Weight444.50 g/mol
Exact Mass444.19
IUPAC Name[6-[[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethoxy)-3-pyridinyl]methylamino]isoquinolin-1-yl] carbamate
SMILESNC(=O)Oc1nccc2cc(NCc3ccc(OCC4CCn5ccnc5C4)nc3)ccc12
InChIInChI=1S/C24H24N6O3/c25-24(31)33-23-20-3-2-19(12-18(20)5-7-27-23)28-13-17-1-4-22(29-14-17)32-15-16-6-9-30-10-8-26-21(30)11-16/h1-5,7-8,10,12,14,16,28H,6,9,11,13,15H2,(H2,25,31)
InChIKeyFJCCEAXZIWEPEZ-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

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Frequently Asked Questions

What is the IUPAC name of [6-[[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethoxy)-3-pyridinyl]methylamino]isoquinolin-1-yl] carbamate?
The IUPAC name of [6-[[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethoxy)-3-pyridinyl]methylamino]isoquinolin-1-yl] carbamate (CID 175496830) is [6-[[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethoxy)-3-pyridinyl]methylamino]isoquinolin-1-yl] carbamate.
What is the SMILES notation for [6-[[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethoxy)-3-pyridinyl]methylamino]isoquinolin-1-yl] carbamate?
The canonical SMILES for [6-[[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethoxy)-3-pyridinyl]methylamino]isoquinolin-1-yl] carbamate is NC(=O)Oc1nccc2cc(NCc3ccc(OCC4CCn5ccnc5C4)nc3)ccc12.
What is the InChIKey of [6-[[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethoxy)-3-pyridinyl]methylamino]isoquinolin-1-yl] carbamate?
The InChIKey is FJCCEAXZIWEPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3/c25-24(31)33-23-20-3-2-19(12-18(20)5-7-27-23)28-13-17-1-4-22(29-14-17)32-15-16-6-9-30-10-8-26-21(30)11-16/h1-5,7-8,10,12,14,16,28H,6,9,11,13,15H2,(H2,25,31).
What are the key properties of [6-[[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethoxy)-3-pyridinyl]methylamino]isoquinolin-1-yl] carbamate?
[6-[[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethoxy)-3-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-[[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethoxy)-3-pyridinyl]methylamino]isoquinolin-1-yl] carbamate is sourced from PubChem (CID 175496830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).