1-(8-methylimidazo[1,2-a]pyridin-6-yl)-3-(5,6,7,8-tetrahydroisoquinolin-1-ylmethyl)urea

C19H21N5O — CID 154794389

IUPAC1-(8-methylimidazo[1,2-a]pyridin-6-yl)-3-(5,6,7,8-tetrahydroisoquinolin-1-ylmethyl)urea
SMILESCc1cc(NC(=O)NCc2nccc3c2CCCC3)cn2ccnc12
InChIInChI=1S/C19H21N5O/c1-13-10-15(12-24-9-8-21-18(13)24)23-19(25)22-11-17-16-5-3-2-4-14(16)6-7-20-17/h6-10,12H,2-5,11H2,1H3,(H2,22,23,25)
InChIKeyJOXWYSKUGKAACU-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.24
Rot. Bonds3

About 1-(8-methylimidazo[1,2-a]pyridin-6-yl)-3-(5,6,7,8-tetrahydroisoquinolin-1-ylmethyl)urea

1-(8-methylimidazo[1,2-a]pyridin-6-yl)-3-(5,6,7,8-tetrahydroisoquinolin-1-ylmethyl)urea (PubChem CID 154794389) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-(8-methylimidazo[1,2-a]pyridin-6-yl)-3-(5,6,7,8-tetrahydroisoquinolin-1-ylmethyl)urea.

Molecular Properties

Compound Name1-(8-methylimidazo[1,2-a]pyridin-6-yl)-3-(5,6,7,8-tetrahydroisoquinolin-1-ylmethyl)urea
PubChem CID154794389
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name1-(8-methylimidazo[1,2-a]pyridin-6-yl)-3-(5,6,7,8-tetrahydroisoquinolin-1-ylmethyl)urea
SMILESCc1cc(NC(=O)NCc2nccc3c2CCCC3)cn2ccnc12
InChIInChI=1S/C19H21N5O/c1-13-10-15(12-24-9-8-21-18(13)24)23-19(25)22-11-17-16-5-3-2-4-14(16)6-7-20-17/h6-10,12H,2-5,11H2,1H3,(H2,22,23,25)
InChIKeyJOXWYSKUGKAACU-UHFFFAOYSA-N
XLogP3.24
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(8-methylimidazo[1,2-a]pyridin-6-yl)-3-(5,6,7,8-tetrahydroisoquinolin-1-ylmethyl)urea with MolForge

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Related Compounds

2-Amino-1-Methyl-6-Phenylimidazo(4,5-b)Pyridine
CID 1530
Glu-P 1
CID 49971
Mavorixafor
CID 11256587
Miransertib
CID 53262401
2-(Hydroxyamino)-1-methyl-6-phenylimidazo(4,5-b)pyridine
CID 104954
Zipalertinib
CID 117918742
Pumaprazole
CID 3052764
Bms 345541
CID 9926054
2,6-Diphenylimidazo[1,2-a]pyridine
CID 58880626
4(2'-Aminoethyl)amino-1,8-dimethylimidazo(1,2-a)quinoxaline
CID 9813758
4-(7-((Dimethylamino)methyl)-2-(4-fluorophenyl)imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-amine
CID 10133248
9-[(3~{R},4~{R})-4-fluoranylpyrrolidin-3-yl]-7-methyl-2-[(7-methylquinolin-6-yl)amino]purin-8-one
CID 146273897

Frequently Asked Questions

What is the IUPAC name of 1-(8-methylimidazo[1,2-a]pyridin-6-yl)-3-(5,6,7,8-tetrahydroisoquinolin-1-ylmethyl)urea?
The IUPAC name of 1-(8-methylimidazo[1,2-a]pyridin-6-yl)-3-(5,6,7,8-tetrahydroisoquinolin-1-ylmethyl)urea (CID 154794389) is 1-(8-methylimidazo[1,2-a]pyridin-6-yl)-3-(5,6,7,8-tetrahydroisoquinolin-1-ylmethyl)urea.
What is the SMILES notation for 1-(8-methylimidazo[1,2-a]pyridin-6-yl)-3-(5,6,7,8-tetrahydroisoquinolin-1-ylmethyl)urea?
The canonical SMILES for 1-(8-methylimidazo[1,2-a]pyridin-6-yl)-3-(5,6,7,8-tetrahydroisoquinolin-1-ylmethyl)urea is Cc1cc(NC(=O)NCc2nccc3c2CCCC3)cn2ccnc12.
What is the InChIKey of 1-(8-methylimidazo[1,2-a]pyridin-6-yl)-3-(5,6,7,8-tetrahydroisoquinolin-1-ylmethyl)urea?
The InChIKey is JOXWYSKUGKAACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-13-10-15(12-24-9-8-21-18(13)24)23-19(25)22-11-17-16-5-3-2-4-14(16)6-7-20-17/h6-10,12H,2-5,11H2,1H3,(H2,22,23,25).
What are the key properties of 1-(8-methylimidazo[1,2-a]pyridin-6-yl)-3-(5,6,7,8-tetrahydroisoquinolin-1-ylmethyl)urea?
1-(8-methylimidazo[1,2-a]pyridin-6-yl)-3-(5,6,7,8-tetrahydroisoquinolin-1-ylmethyl)urea has a molecular weight of 335.41 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methylimidazo[1,2-a]pyridin-6-yl)-3-(5,6,7,8-tetrahydroisoquinolin-1-ylmethyl)urea is sourced from PubChem (CID 154794389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).