2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1H-imidazo[4,5-b]pyridin-5-amine

C15H15N5 — CID 79817103

IUPAC2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1H-imidazo[4,5-b]pyridin-5-amine
SMILESNc1ccc2[nH]c(C3Cc4ccccc4CN3)nc2n1
InChIInChI=1S/C15H15N5/c16-13-6-5-11-14(19-13)20-15(18-11)12-7-9-3-1-2-4-10(9)8-17-12/h1-6,12,17H,7-8H2,(H3,16,18,19,20)
InChIKeyKBWVWOPTLVVIGU-UHFFFAOYSA-N
MW265.32 g/mol
LogP1.93
Rot. Bonds1

About 2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1H-imidazo[4,5-b]pyridin-5-amine

2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1H-imidazo[4,5-b]pyridin-5-amine (PubChem CID 79817103) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1H-imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1H-imidazo[4,5-b]pyridin-5-amine
PubChem CID79817103
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC Name2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1H-imidazo[4,5-b]pyridin-5-amine
SMILESNc1ccc2[nH]c(C3Cc4ccccc4CN3)nc2n1
InChIInChI=1S/C15H15N5/c16-13-6-5-11-14(19-13)20-15(18-11)12-7-9-3-1-2-4-10(9)8-17-12/h1-6,12,17H,7-8H2,(H3,16,18,19,20)
InChIKeyKBWVWOPTLVVIGU-UHFFFAOYSA-N
XLogP1.93
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydro-1H-indol-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821353
3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
CID 62336192
3-(4-fluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
CID 60783990
2-(2-adamantyl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 81098853
2-(3-methylpyrrolidin-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 102776738
2-(2,3-dihydro-1-benzofuran-3-yl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79820809
2-(2,3-dihydro-1-benzothiophen-3-yl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821390
2-(2,3-dihydro-1H-indol-2-yl)-5-methoxy-1H-imidazo[4,5-b]pyridine
CID 65485005
3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydroisoquinoline
CID 61338732
N,N-dimethyl-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1H-1,2,4-triazol-3-amine
CID 114244272
2-(oxan-3-yl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821401
2-(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)cyclohexane-1-carboxylic acid
CID 79820848

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1H-imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of 2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1H-imidazo[4,5-b]pyridin-5-amine (CID 79817103) is 2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1H-imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1H-imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for 2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1H-imidazo[4,5-b]pyridin-5-amine is Nc1ccc2[nH]c(C3Cc4ccccc4CN3)nc2n1.
What is the InChIKey of 2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1H-imidazo[4,5-b]pyridin-5-amine?
The InChIKey is KBWVWOPTLVVIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c16-13-6-5-11-14(19-13)20-15(18-11)12-7-9-3-1-2-4-10(9)8-17-12/h1-6,12,17H,7-8H2,(H3,16,18,19,20).
What are the key properties of 2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1H-imidazo[4,5-b]pyridin-5-amine?
2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1H-imidazo[4,5-b]pyridin-5-amine has a molecular weight of 265.32 g/mol, XLogP of 1.93, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1H-imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 79817103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).