5-[3-[(2'-oxospiro[azetidine-3,3'-indole]-1'-yl)methyl]isoquinolin-4-yl]pyridine-2-carboxamide

C26H21N5O2 — CID 126545090

IUPAC5-[3-[(2'-oxospiro[azetidine-3,3'-indole]-1'-yl)methyl]isoquinolin-4-yl]pyridine-2-carboxamide
SMILESNC(=O)c1ccc(-c2c(CN3C(=O)C4(CNC4)c4ccccc43)ncc3ccccc23)cn1
InChIInChI=1S/C26H21N5O2/c27-24(32)20-10-9-17(12-29-20)23-18-6-2-1-5-16(18)11-30-21(23)13-31-22-8-4-3-7-19(22)26(25(31)33)14-28-15-26/h1-12,28H,13-15H2,(H2,27,32)
InChIKeyOLRJOHDIUHBXDJ-UHFFFAOYSA-N
MW435.49 g/mol
LogP2.78
Rot. Bonds4

About 5-[3-[(2'-oxospiro[azetidine-3,3'-indole]-1'-yl)methyl]isoquinolin-4-yl]pyridine-2-carboxamide

5-[3-[(2'-oxospiro[azetidine-3,3'-indole]-1'-yl)methyl]isoquinolin-4-yl]pyridine-2-carboxamide (PubChem CID 126545090) has the molecular formula C26H21N5O2 and a molecular weight of 435.49 g/mol. Its IUPAC name is 5-[3-[(2'-oxospiro[azetidine-3,3'-indole]-1'-yl)methyl]isoquinolin-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[3-[(2'-oxospiro[azetidine-3,3'-indole]-1'-yl)methyl]isoquinolin-4-yl]pyridine-2-carboxamide
PubChem CID126545090
Molecular FormulaC26H21N5O2
Molecular Weight435.49 g/mol
Exact Mass435.17
IUPAC Name5-[3-[(2'-oxospiro[azetidine-3,3'-indole]-1'-yl)methyl]isoquinolin-4-yl]pyridine-2-carboxamide
SMILESNC(=O)c1ccc(-c2c(CN3C(=O)C4(CNC4)c4ccccc43)ncc3ccccc23)cn1
InChIInChI=1S/C26H21N5O2/c27-24(32)20-10-9-17(12-29-20)23-18-6-2-1-5-16(18)11-30-21(23)13-31-22-8-4-3-7-19(22)26(25(31)33)14-28-15-26/h1-12,28H,13-15H2,(H2,27,32)
InChIKeyOLRJOHDIUHBXDJ-UHFFFAOYSA-N
XLogP2.78
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-[[1-[(2S)-2-amino-3-hydroxypropanoyl]-2'-oxospiro[piperidine-4,3'-pyrrolo[2,3-c]pyridine]-1'-yl]methyl]isoquinolin-4-yl]pyridine-2-carboxamide
CID 126546009
5-[3-[[1-(2-amino-3,3,3-trifluoropropanoyl)-2'-oxospiro[piperidine-4,3'-pyrrolo[2,3-c]pyridine]-1'-yl]methyl]isoquinolin-4-yl]pyridine-2-carboxamide
CID 126546003
5-[3-[[2'-oxo-1-[2-(propylamino)acetyl]spiro[piperidine-4,3'-pyrrolo[2,3-c]pyridine]-1'-yl]methyl]isoquinolin-4-yl]pyridine-2-carboxamide
CID 146637733
1'-[[4-[4-(methanesulfonamido)phenyl]isoquinolin-3-yl]methyl]-2'-oxospiro[azetidine-3,3'-indole]-1-carboxylic acid
CID 175054470
1'-[[4-(4-tert-butylphenyl)isoquinolin-3-yl]methyl]-1-methylsulfanylspiro[azetidine-3,3'-indole]-2'-one
CID 146637707
1'-(2-amino-3-hydroxypropanoyl)-1-[(4-pyrimidin-5-ylisoquinolin-3-yl)methyl]spiro[indole-3,4'-piperidine]-2-one
CID 134298555
N-[4-[3-[[1-(1-aminocyclopropanecarbonyl)-2'-oxospiro[azetidine-3,3'-indole]-1'-yl]methyl]isoquinolin-4-yl]phenyl]methanesulfonamide
CID 137394270
4-[3-[(1-methylsulfinyl-2'-oxospiro[azetidine-3,3'-indole]-1'-yl)methyl]isoquinolin-4-yl]benzonitrile
CID 145240055
1-[(6-fluoro-4-pyrimidin-5-ylisoquinolin-3-yl)methyl]spiro[indole-3,4'-piperidine]-2-one
CID 134298356
tert-butyl 1'-[[4-(6-fluoro-3-pyridinyl)isoquinolin-3-yl]methyl]-2'-oxospiro[piperidine-4,3'-pyrrolo[2,3-c]pyridine]-1-carboxylate
CID 137371162
tert-butyl N-[1-[1'-[[4-(2-cyanopyrimidin-5-yl)isoquinolin-3-yl]methyl]-2'-oxospiro[azetidine-3,3'-indole]-1-carbonyl]cyclopropyl]carbamate
CID 142294594
methyl 1'-[[4-(5-cyano-2-pyridinyl)isoquinolin-3-yl]methyl]-2'-oxospiro[azetidine-3,3'-indole]-1-carboxylate
CID 126544927

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(2'-oxospiro[azetidine-3,3'-indole]-1'-yl)methyl]isoquinolin-4-yl]pyridine-2-carboxamide?
The IUPAC name of 5-[3-[(2'-oxospiro[azetidine-3,3'-indole]-1'-yl)methyl]isoquinolin-4-yl]pyridine-2-carboxamide (CID 126545090) is 5-[3-[(2'-oxospiro[azetidine-3,3'-indole]-1'-yl)methyl]isoquinolin-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[3-[(2'-oxospiro[azetidine-3,3'-indole]-1'-yl)methyl]isoquinolin-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-[3-[(2'-oxospiro[azetidine-3,3'-indole]-1'-yl)methyl]isoquinolin-4-yl]pyridine-2-carboxamide is NC(=O)c1ccc(-c2c(CN3C(=O)C4(CNC4)c4ccccc43)ncc3ccccc23)cn1.
What is the InChIKey of 5-[3-[(2'-oxospiro[azetidine-3,3'-indole]-1'-yl)methyl]isoquinolin-4-yl]pyridine-2-carboxamide?
The InChIKey is OLRJOHDIUHBXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O2/c27-24(32)20-10-9-17(12-29-20)23-18-6-2-1-5-16(18)11-30-21(23)13-31-22-8-4-3-7-19(22)26(25(31)33)14-28-15-26/h1-12,28H,13-15H2,(H2,27,32).
What are the key properties of 5-[3-[(2'-oxospiro[azetidine-3,3'-indole]-1'-yl)methyl]isoquinolin-4-yl]pyridine-2-carboxamide?
5-[3-[(2'-oxospiro[azetidine-3,3'-indole]-1'-yl)methyl]isoquinolin-4-yl]pyridine-2-carboxamide has a molecular weight of 435.49 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(2'-oxospiro[azetidine-3,3'-indole]-1'-yl)methyl]isoquinolin-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 126545090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).