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

C29H26N6O2 — CID 146273780

IUPAC2-amino-2-phenyl-N-[4-[4-(1,2,3,4-tetrahydroisoquinolin-7-yloxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]acetamide
SMILESNC(C(=O)Nc1cc(-c2c[nH]c3nccc(Oc4ccc5c(c4)CNCC5)c23)ccn1)c1ccccc1
InChIInChI=1S/C29H26N6O2/c30-27(19-4-2-1-3-5-19)29(36)35-25-15-20(9-12-32-25)23-17-34-28-26(23)24(10-13-33-28)37-22-7-6-18-8-11-31-16-21(18)14-22/h1-7,9-10,12-15,17,27,31H,8,11,16,30H2,(H,33,34)(H,32,35,36)
InChIKeyUUMQMABSAAJUOY-UHFFFAOYSA-N
MW490.57 g/mol
LogP4.70
Rot. Bonds6

About 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

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 (PubChem CID 146273780) has the molecular formula C29H26N6O2 and a molecular weight of 490.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-amino-2-phenyl-N-[4-[4-(1,2,3,4-tetrahydroisoquinolin-7-yloxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]acetamide
PubChem CID146273780
Molecular FormulaC29H26N6O2
Molecular Weight490.57 g/mol
Exact Mass490.21
IUPAC Name2-amino-2-phenyl-N-[4-[4-(1,2,3,4-tetrahydroisoquinolin-7-yloxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]acetamide
SMILESNC(C(=O)Nc1cc(-c2c[nH]c3nccc(Oc4ccc5c(c4)CNCC5)c23)ccn1)c1ccccc1
InChIInChI=1S/C29H26N6O2/c30-27(19-4-2-1-3-5-19)29(36)35-25-15-20(9-12-32-25)23-17-34-28-26(23)24(10-13-33-28)37-22-7-6-18-8-11-31-16-21(18)14-22/h1-7,9-10,12-15,17,27,31H,8,11,16,30H2,(H,33,34)(H,32,35,36)
InChIKeyUUMQMABSAAJUOY-UHFFFAOYSA-N
XLogP4.70
TPSA117.95 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.57
LogP ≤ 54.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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
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
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
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
tert-butyl 7-[[3-(2-morpholin-4-yl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 146274995
(2S)-2-amino-N-(4-methyl-2-pyridinyl)-2-phenylacetamide
CID 104897124
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
3-(2,3-dihydro-1H-indol-6-yl)-4-ethoxy-1H-pyrrolo[2,3-b]pyridine
CID 146401486
6-(4-phenoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-2-one;hydrochloride
CID 166135739
2-amino-1-(4-methylpiperazin-1-yl)-3-[3-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]propan-1-one
CID 142606701

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is NC(C(=O)Nc1cc(-c2c[nH]c3nccc(Oc4ccc5c(c4)CNCC5)c23)ccn1)c1ccccc1.
What is the InChIKey of 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?
The InChIKey is UUMQMABSAAJUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N6O2/c30-27(19-4-2-1-3-5-19)29(36)35-25-15-20(9-12-32-25)23-17-34-28-26(23)24(10-13-33-28)37-22-7-6-18-8-11-31-16-21(18)14-22/h1-7,9-10,12-15,17,27,31H,8,11,16,30H2,(H,33,34)(H,32,35,36).
What are the key properties of 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?
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 has a molecular weight of 490.57 g/mol, XLogP of 4.70, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 146273780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).