N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-carboxamide

C26H25N5O2 — CID 25160773

IUPACN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-carboxamide
SMILESO=C(NCCN1CCc2ccccc2C1)c1cc2c(cn1)CC1(C2)C(=O)Nc2ncccc21
InChIInChI=1S/C26H25N5O2/c32-24(28-9-11-31-10-7-17-4-1-2-5-18(17)16-31)22-12-19-13-26(14-20(19)15-29-22)21-6-3-8-27-23(21)30-25(26)33/h1-6,8,12,15H,7,9-11,13-14,16H2,(H,28,32)(H,27,30,33)
InChIKeyDHOVPATZSCONNP-UHFFFAOYSA-N
MW439.52 g/mol
LogP2.25
Rot. Bonds4

About N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-carboxamide

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-carboxamide (PubChem CID 25160773) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-carboxamide
PubChem CID25160773
Molecular FormulaC26H25N5O2
Molecular Weight439.52 g/mol
Exact Mass439.20
IUPAC NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-carboxamide
SMILESO=C(NCCN1CCc2ccccc2C1)c1cc2c(cn1)CC1(C2)C(=O)Nc2ncccc21
InChIInChI=1S/C26H25N5O2/c32-24(28-9-11-31-10-7-17-4-1-2-5-18(17)16-31)22-12-19-13-26(14-20(19)15-29-22)21-6-3-8-27-23(21)30-25(26)33/h1-6,8,12,15H,7,9-11,13-14,16H2,(H,28,32)(H,27,30,33)
InChIKeyDHOVPATZSCONNP-UHFFFAOYSA-N
XLogP2.25
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-carboxamide with MolForge

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Related Compounds

N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-carboxamide
CID 71047064
4,5-dichloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 37495208
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 78851426
(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)azanide;rubidium(1+)
CID 59166744
2-(9-methyl-2,10-dioxo-1,3,9-triazatricyclo[6.5.1.04,14]tetradeca-4(14),5,7-trien-3-yl)-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide
CID 25127676
1'-[6-(2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one
CID 42610073
(3S)-3'-(hydroxymethyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one
CID 90064620
4-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]pyridine-3-carboxylic acid
CID 66722373
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]acetamide
CID 39568678
5-[hydroxy(methoxy)methyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
CID 123788239
N-[2-(diethylamino)ethyl]-4-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carboxamide
CID 56877383
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide
CID 109277483

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-carboxamide?
The IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-carboxamide (CID 25160773) is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-carboxamide.
What is the SMILES notation for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-carboxamide?
The canonical SMILES for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-carboxamide is O=C(NCCN1CCc2ccccc2C1)c1cc2c(cn1)CC1(C2)C(=O)Nc2ncccc21.
What is the InChIKey of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-carboxamide?
The InChIKey is DHOVPATZSCONNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2/c32-24(28-9-11-31-10-7-17-4-1-2-5-18(17)16-31)22-12-19-13-26(14-20(19)15-29-22)21-6-3-8-27-23(21)30-25(26)33/h1-6,8,12,15H,7,9-11,13-14,16H2,(H,28,32)(H,27,30,33).
What are the key properties of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-carboxamide?
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-carboxamide has a molecular weight of 439.52 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-carboxamide is sourced from PubChem (CID 25160773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).