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

C22H21ClN6O — CID 171362825

IUPAC4-chloro-6-N-[[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yloxy)-4-pyridinyl]methyl]isoquinoline-1,6-diamine
SMILESNc1ncc(Cl)c2cc(NCc3ccnc(OC4CCn5ccnc5C4)c3)ccc12
InChIInChI=1S/C22H21ClN6O/c23-19-13-28-22(24)17-2-1-15(10-18(17)19)27-12-14-3-5-26-21(9-14)30-16-4-7-29-8-6-25-20(29)11-16/h1-3,5-6,8-10,13,16,27H,4,7,11-12H2,(H2,24,28)
InChIKeyASSIORTXMOIMSW-UHFFFAOYSA-N
MW420.90 g/mol
LogP4.07
Rot. Bonds5

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

4-chloro-6-N-[[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yloxy)-4-pyridinyl]methyl]isoquinoline-1,6-diamine (PubChem CID 171362825) has the molecular formula C22H21ClN6O and a molecular weight of 420.90 g/mol. Its IUPAC name is 4-chloro-6-N-[[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yloxy)-4-pyridinyl]methyl]isoquinoline-1,6-diamine.

Molecular Properties

Compound Name4-chloro-6-N-[[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yloxy)-4-pyridinyl]methyl]isoquinoline-1,6-diamine
PubChem CID171362825
Molecular FormulaC22H21ClN6O
Molecular Weight420.90 g/mol
Exact Mass420.15
IUPAC Name4-chloro-6-N-[[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yloxy)-4-pyridinyl]methyl]isoquinoline-1,6-diamine
SMILESNc1ncc(Cl)c2cc(NCc3ccnc(OC4CCn5ccnc5C4)c3)ccc12
InChIInChI=1S/C22H21ClN6O/c23-19-13-28-22(24)17-2-1-15(10-18(17)19)27-12-14-3-5-26-21(9-14)30-16-4-7-29-8-6-25-20(29)11-16/h1-3,5-6,8-10,13,16,27H,4,7,11-12H2,(H2,24,28)
InChIKeyASSIORTXMOIMSW-UHFFFAOYSA-N
XLogP4.07
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.90
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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
4-chloro-6-N-[[2-[(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl)amino]-4-pyridinyl]methyl]isoquinoline-1,6-diamine
CID 171362831
[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
2-chloro-N-[[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yloxymethyl)-1-bicyclo[1.1.1]pentanyl]methyl]-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 164902194
6-N-[[2-[(4-fluoro-1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]methyl]isoquinoline-1,6-diamine
CID 171362814
N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970752
4-(chloromethyl)-2-cyclopentyloxypyridine
CID 61257863
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-(3,4-dichlorophenyl)methanesulfonamide
CID 56582075
[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methanamine;hydrochloride
CID 159598247
N-[(2-cyclobutyloxy-4-pyridinyl)methyl]-2-methylpropan-1-amine
CID 62287517

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-N-[[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yloxy)-4-pyridinyl]methyl]isoquinoline-1,6-diamine?
The IUPAC name of 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) is 4-chloro-6-N-[[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yloxy)-4-pyridinyl]methyl]isoquinoline-1,6-diamine.
What is the SMILES notation for 4-chloro-6-N-[[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yloxy)-4-pyridinyl]methyl]isoquinoline-1,6-diamine?
The canonical SMILES for 4-chloro-6-N-[[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yloxy)-4-pyridinyl]methyl]isoquinoline-1,6-diamine is Nc1ncc(Cl)c2cc(NCc3ccnc(OC4CCn5ccnc5C4)c3)ccc12.
What is the InChIKey of 4-chloro-6-N-[[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yloxy)-4-pyridinyl]methyl]isoquinoline-1,6-diamine?
The InChIKey is ASSIORTXMOIMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN6O/c23-19-13-28-22(24)17-2-1-15(10-18(17)19)27-12-14-3-5-26-21(9-14)30-16-4-7-29-8-6-25-20(29)11-16/h1-3,5-6,8-10,13,16,27H,4,7,11-12H2,(H2,24,28).
What are the key properties of 4-chloro-6-N-[[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yloxy)-4-pyridinyl]methyl]isoquinoline-1,6-diamine?
4-chloro-6-N-[[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yloxy)-4-pyridinyl]methyl]isoquinoline-1,6-diamine has a molecular weight of 420.90 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-N-[[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yloxy)-4-pyridinyl]methyl]isoquinoline-1,6-diamine is sourced from PubChem (CID 171362825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).