N-[4-(2-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine

C20H17ClN6 — CID 68777543

IUPACN-[4-(2-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine
SMILESClc1nc2ccccn2c1-c1ccnc(Nc2ccc3c(c2)CNCC3)n1
InChIInChI=1S/C20H17ClN6/c21-19-18(27-10-2-1-3-17(27)26-19)16-7-9-23-20(25-16)24-15-5-4-13-6-8-22-12-14(13)11-15/h1-5,7,9-11,22H,6,8,12H2,(H,23,24,25)
InChIKeyCQJUIKHPXJINCH-UHFFFAOYSA-N
MW376.85 g/mol
LogP3.83
Rot. Bonds3

About N-[4-(2-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine

N-[4-(2-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine (PubChem CID 68777543) has the molecular formula C20H17ClN6 and a molecular weight of 376.85 g/mol. Its IUPAC name is N-[4-(2-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine.

Molecular Properties

Compound NameN-[4-(2-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine
PubChem CID68777543
Molecular FormulaC20H17ClN6
Molecular Weight376.85 g/mol
Exact Mass376.12
IUPAC NameN-[4-(2-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine
SMILESClc1nc2ccccn2c1-c1ccnc(Nc2ccc3c(c2)CNCC3)n1
InChIInChI=1S/C20H17ClN6/c21-19-18(27-10-2-1-3-17(27)26-19)16-7-9-23-20(25-16)24-15-5-4-13-6-8-22-12-14(13)11-15/h1-5,7,9-11,22H,6,8,12H2,(H,23,24,25)
InChIKeyCQJUIKHPXJINCH-UHFFFAOYSA-N
XLogP3.83
TPSA67.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.85
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine?
The IUPAC name of N-[4-(2-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine (CID 68777543) is N-[4-(2-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine.
What is the SMILES notation for N-[4-(2-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine?
The canonical SMILES for N-[4-(2-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine is Clc1nc2ccccn2c1-c1ccnc(Nc2ccc3c(c2)CNCC3)n1.
What is the InChIKey of N-[4-(2-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine?
The InChIKey is CQJUIKHPXJINCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN6/c21-19-18(27-10-2-1-3-17(27)26-19)16-7-9-23-20(25-16)24-15-5-4-13-6-8-22-12-14(13)11-15/h1-5,7,9-11,22H,6,8,12H2,(H,23,24,25).
What are the key properties of N-[4-(2-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine?
N-[4-(2-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine has a molecular weight of 376.85 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine is sourced from PubChem (CID 68777543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).