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

C26H27N5O3 — CID 146273807

IUPAC2-propan-2-yloxy-N-[4-[4-(1,2,3,4-tetrahydroisoquinolin-7-yloxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]acetamide
SMILESCC(C)OCC(=O)Nc1cc(-c2c[nH]c3nccc(Oc4ccc5c(c4)CNCC5)c23)ccn1
InChIInChI=1S/C26H27N5O3/c1-16(2)33-15-24(32)31-23-12-18(6-9-28-23)21-14-30-26-25(21)22(7-10-29-26)34-20-4-3-17-5-8-27-13-19(17)11-20/h3-4,6-7,9-12,14,16,27H,5,8,13,15H2,1-2H3,(H,29,30)(H,28,31,32)
InChIKeyUDDGIFDWPOCSTN-UHFFFAOYSA-N
MW457.53 g/mol
LogP4.43
Rot. Bonds7

About 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

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 (PubChem CID 146273807) has the molecular formula C26H27N5O3 and a molecular weight of 457.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-propan-2-yloxy-N-[4-[4-(1,2,3,4-tetrahydroisoquinolin-7-yloxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]acetamide
PubChem CID146273807
Molecular FormulaC26H27N5O3
Molecular Weight457.53 g/mol
Exact Mass457.21
IUPAC Name2-propan-2-yloxy-N-[4-[4-(1,2,3,4-tetrahydroisoquinolin-7-yloxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]acetamide
SMILESCC(C)OCC(=O)Nc1cc(-c2c[nH]c3nccc(Oc4ccc5c(c4)CNCC5)c23)ccn1
InChIInChI=1S/C26H27N5O3/c1-16(2)33-15-24(32)31-23-12-18(6-9-28-23)21-14-30-26-25(21)22(7-10-29-26)34-20-4-3-17-5-8-27-13-19(17)11-20/h3-4,6-7,9-12,14,16,27H,5,8,13,15H2,1-2H3,(H,29,30)(H,28,31,32)
InChIKeyUDDGIFDWPOCSTN-UHFFFAOYSA-N
XLogP4.43
TPSA101.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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
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
3-(2,3-dihydro-1H-indol-6-yl)-4-ethoxy-1H-pyrrolo[2,3-b]pyridine
CID 146401486
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
2-propan-2-yloxy-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)acetamide
CID 112602533
3-(3-fluoro-5-propan-2-yloxyphenyl)-4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine
CID 146333366
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-propan-2-yloxy-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-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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)OCC(=O)Nc1cc(-c2c[nH]c3nccc(Oc4ccc5c(c4)CNCC5)c23)ccn1.
What is the InChIKey of 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?
The InChIKey is UDDGIFDWPOCSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O3/c1-16(2)33-15-24(32)31-23-12-18(6-9-28-23)21-14-30-26-25(21)22(7-10-29-26)34-20-4-3-17-5-8-27-13-19(17)11-20/h3-4,6-7,9-12,14,16,27H,5,8,13,15H2,1-2H3,(H,29,30)(H,28,31,32).
What are the key properties of 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?
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 has a molecular weight of 457.53 g/mol, XLogP of 4.43, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 146273807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).