6-[4-(1,2,3,4-tetrahydroisoquinolin-7-yloxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine

C24H21N7OS — CID 146275006

IUPAC6-[4-(1,2,3,4-tetrahydroisoquinolin-7-yloxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
SMILESc1nc(NCc2nccs2)cc(-c2c[nH]c3nccc(Oc4ccc5c(c4)CNCC5)c23)n1
InChIInChI=1S/C24H21N7OS/c1-2-17(9-16-11-25-5-3-15(1)16)32-20-4-6-27-24-23(20)18(12-29-24)19-10-21(31-14-30-19)28-13-22-26-7-8-33-22/h1-2,4,6-10,12,14,25H,3,5,11,13H2,(H,27,29)(H,28,30,31)
InChIKeyOMNQEHCVPDUPJW-UHFFFAOYSA-N
MW455.55 g/mol
LogP4.53
Rot. Bonds6

About 6-[4-(1,2,3,4-tetrahydroisoquinolin-7-yloxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine

6-[4-(1,2,3,4-tetrahydroisoquinolin-7-yloxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine (PubChem CID 146275006) has the molecular formula C24H21N7OS and a molecular weight of 455.55 g/mol. Its IUPAC name is 6-[4-(1,2,3,4-tetrahydroisoquinolin-7-yloxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-(1,2,3,4-tetrahydroisoquinolin-7-yloxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
PubChem CID146275006
Molecular FormulaC24H21N7OS
Molecular Weight455.55 g/mol
Exact Mass455.15
IUPAC Name6-[4-(1,2,3,4-tetrahydroisoquinolin-7-yloxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
SMILESc1nc(NCc2nccs2)cc(-c2c[nH]c3nccc(Oc4ccc5c(c4)CNCC5)c23)n1
InChIInChI=1S/C24H21N7OS/c1-2-17(9-16-11-25-5-3-15(1)16)32-20-4-6-27-24-23(20)18(12-29-24)19-10-21(31-14-30-19)28-13-22-26-7-8-33-22/h1-2,4,6-10,12,14,25H,3,5,11,13H2,(H,27,29)(H,28,30,31)
InChIKeyOMNQEHCVPDUPJW-UHFFFAOYSA-N
XLogP4.53
TPSA100.64 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.55
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-[4-(1,2,3,4-tetrahydroisoquinolin-7-yloxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine 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

tert-butyl 7-[[3-[6-(1,3-thiazol-2-ylmethylamino)pyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 146275136
N-(2-methoxyethyl)-4-[4-(1,2,3,4-tetrahydroisoquinolin-7-yloxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridin-2-amine
CID 146273788
N-[(5-methyl-2-pyridinyl)methyl]-4-[4-(1,2,3,4-tetrahydroisoquinolin-7-yloxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridin-2-amine
CID 146273812
7-[[3-(2-butyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-1,2,3,4-tetrahydroisoquinoline
CID 160937415
2-propan-2-yloxy-N-[4-[4-(1,2,3,4-tetrahydroisoquinolin-7-yloxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]acetamide
CID 146273807
2-amino-2-phenyl-N-[4-[4-(1,2,3,4-tetrahydroisoquinolin-7-yloxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]acetamide
CID 146273780
tert-butyl 7-[[3-[2-(cyclopropylmethylamino)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 146275116
3-(2,3-dihydro-1H-indol-6-yl)-4-ethoxy-1H-pyrrolo[2,3-b]pyridine
CID 146401486
2-(1,3-thiazol-2-ylmethylamino)pyridine-4-carbonitrile
CID 61284852
6-chloro-N-[[4-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]pyrimidin-4-amine
CID 171090132
N-(1,3-thiazol-2-ylmethyl)-2,3-dihydro-1H-inden-5-amine
CID 63221653
4-[4-(3,5-difluorophenoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 166135734

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1,2,3,4-tetrahydroisoquinolin-7-yloxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-[4-(1,2,3,4-tetrahydroisoquinolin-7-yloxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine (CID 146275006) is 6-[4-(1,2,3,4-tetrahydroisoquinolin-7-yloxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-[4-(1,2,3,4-tetrahydroisoquinolin-7-yloxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-[4-(1,2,3,4-tetrahydroisoquinolin-7-yloxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine is c1nc(NCc2nccs2)cc(-c2c[nH]c3nccc(Oc4ccc5c(c4)CNCC5)c23)n1.
What is the InChIKey of 6-[4-(1,2,3,4-tetrahydroisoquinolin-7-yloxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is OMNQEHCVPDUPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7OS/c1-2-17(9-16-11-25-5-3-15(1)16)32-20-4-6-27-24-23(20)18(12-29-24)19-10-21(31-14-30-19)28-13-22-26-7-8-33-22/h1-2,4,6-10,12,14,25H,3,5,11,13H2,(H,27,29)(H,28,30,31).
What are the key properties of 6-[4-(1,2,3,4-tetrahydroisoquinolin-7-yloxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine?
6-[4-(1,2,3,4-tetrahydroisoquinolin-7-yloxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 455.55 g/mol, XLogP of 4.53, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1,2,3,4-tetrahydroisoquinolin-7-yloxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 146275006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).