methyl 1'-[(7-chloro-4-pyridin-3-ylisoquinolin-3-yl)methyl]-2'-oxospiro[azetidine-3,3'-pyrrolo[2,3-c]pyridine]-1-carboxylate

C26H20ClN5O3 — CID 126545102

IUPACmethyl 1'-[(7-chloro-4-pyridin-3-ylisoquinolin-3-yl)methyl]-2'-oxospiro[azetidine-3,3'-pyrrolo[2,3-c]pyridine]-1-carboxylate
SMILESCOC(=O)N1CC2(C1)C(=O)N(Cc1ncc3cc(Cl)ccc3c1-c1cccnc1)c1cnccc12
InChIInChI=1S/C26H20ClN5O3/c1-35-25(34)31-14-26(15-31)20-6-8-29-12-22(20)32(24(26)33)13-21-23(16-3-2-7-28-10-16)19-5-4-18(27)9-17(19)11-30-21/h2-12H,13-15H2,1H3
InChIKeyYDPYERXXVUJMNH-UHFFFAOYSA-N
MW485.93 g/mol
LogP4.21
Rot. Bonds3

About methyl 1'-[(7-chloro-4-pyridin-3-ylisoquinolin-3-yl)methyl]-2'-oxospiro[azetidine-3,3'-pyrrolo[2,3-c]pyridine]-1-carboxylate

methyl 1'-[(7-chloro-4-pyridin-3-ylisoquinolin-3-yl)methyl]-2'-oxospiro[azetidine-3,3'-pyrrolo[2,3-c]pyridine]-1-carboxylate (PubChem CID 126545102) has the molecular formula C26H20ClN5O3 and a molecular weight of 485.93 g/mol. Its IUPAC name is methyl 1'-[(7-chloro-4-pyridin-3-ylisoquinolin-3-yl)methyl]-2'-oxospiro[azetidine-3,3'-pyrrolo[2,3-c]pyridine]-1-carboxylate.

Molecular Properties

Compound Namemethyl 1'-[(7-chloro-4-pyridin-3-ylisoquinolin-3-yl)methyl]-2'-oxospiro[azetidine-3,3'-pyrrolo[2,3-c]pyridine]-1-carboxylate
PubChem CID126545102
Molecular FormulaC26H20ClN5O3
Molecular Weight485.93 g/mol
Exact Mass485.13
IUPAC Namemethyl 1'-[(7-chloro-4-pyridin-3-ylisoquinolin-3-yl)methyl]-2'-oxospiro[azetidine-3,3'-pyrrolo[2,3-c]pyridine]-1-carboxylate
SMILESCOC(=O)N1CC2(C1)C(=O)N(Cc1ncc3cc(Cl)ccc3c1-c1cccnc1)c1cnccc12
InChIInChI=1S/C26H20ClN5O3/c1-35-25(34)31-14-26(15-31)20-6-8-29-12-22(20)32(24(26)33)13-21-23(16-3-2-7-28-10-16)19-5-4-18(27)9-17(19)11-30-21/h2-12H,13-15H2,1H3
InChIKeyYDPYERXXVUJMNH-UHFFFAOYSA-N
XLogP4.21
TPSA88.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.93
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 1'-[(7-chloro-4-pyridin-3-ylisoquinolin-3-yl)methyl]-2'-oxospiro[azetidine-3,3'-pyrrolo[2,3-c]pyridine]-1-carboxylate 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

1'-[(7-chloro-4-pyrimidin-5-ylisoquinolin-3-yl)methyl]spiro[cyclobutane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one;methyl carbamate
CID 142294598
methyl 1'-[(4-bromo-7-chloroisoquinolin-3-yl)methyl]-2'-oxospiro[azetidine-3,3'-indole]-1-carboxylate
CID 134298389
methyl N-[1'-[(7-chloro-4-pyrimidin-5-ylisoquinolin-3-yl)methyl]-2'-oxospiro[cyclobutane-3,3'-pyrrolo[2,3-c]pyridine]-1-yl]carbamate
CID 134298397
(1-methylcyclopropyl) 2'-oxo-1'-[(4-pyrimidin-5-ylisoquinolin-3-yl)methyl]spiro[azetidine-3,3'-pyrrolo[2,3-c]pyridine]-1-carboxylate
CID 142294564
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
methyl 1'-[[4-(5-cyano-2-pyridinyl)isoquinolin-3-yl]methyl]-2'-oxospiro[azetidine-3,3'-indole]-1-carboxylate
CID 126544927
methyl 1'-[[4-(3-methylsulfanylpropyl)isoquinolin-3-yl]methyl]-2'-oxospiro[piperidine-4,3'-pyrrolo[2,3-c]pyridine]-1-carboxylate
CID 145240017
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
1'-[[5-chloro-7-fluoro-1-(2-methylsulfonylethyl)indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one
CID 86293098
ethyl 1'-[[6-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-2'-oxospiro[piperidine-4,3'-pyrrolo[2,3-c]pyridine]-1-carboxylate
CID 156650018
4-[3-[5-chloro-2-[(2'-oxospiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-1'-yl)methyl]indol-1-yl]propylsulfonyl]piperazine-1-carboxylic acid
CID 118915051

Frequently Asked Questions

What is the IUPAC name of methyl 1'-[(7-chloro-4-pyridin-3-ylisoquinolin-3-yl)methyl]-2'-oxospiro[azetidine-3,3'-pyrrolo[2,3-c]pyridine]-1-carboxylate?
The IUPAC name of methyl 1'-[(7-chloro-4-pyridin-3-ylisoquinolin-3-yl)methyl]-2'-oxospiro[azetidine-3,3'-pyrrolo[2,3-c]pyridine]-1-carboxylate (CID 126545102) is methyl 1'-[(7-chloro-4-pyridin-3-ylisoquinolin-3-yl)methyl]-2'-oxospiro[azetidine-3,3'-pyrrolo[2,3-c]pyridine]-1-carboxylate.
What is the SMILES notation for methyl 1'-[(7-chloro-4-pyridin-3-ylisoquinolin-3-yl)methyl]-2'-oxospiro[azetidine-3,3'-pyrrolo[2,3-c]pyridine]-1-carboxylate?
The canonical SMILES for methyl 1'-[(7-chloro-4-pyridin-3-ylisoquinolin-3-yl)methyl]-2'-oxospiro[azetidine-3,3'-pyrrolo[2,3-c]pyridine]-1-carboxylate is COC(=O)N1CC2(C1)C(=O)N(Cc1ncc3cc(Cl)ccc3c1-c1cccnc1)c1cnccc12.
What is the InChIKey of methyl 1'-[(7-chloro-4-pyridin-3-ylisoquinolin-3-yl)methyl]-2'-oxospiro[azetidine-3,3'-pyrrolo[2,3-c]pyridine]-1-carboxylate?
The InChIKey is YDPYERXXVUJMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClN5O3/c1-35-25(34)31-14-26(15-31)20-6-8-29-12-22(20)32(24(26)33)13-21-23(16-3-2-7-28-10-16)19-5-4-18(27)9-17(19)11-30-21/h2-12H,13-15H2,1H3.
What are the key properties of methyl 1'-[(7-chloro-4-pyridin-3-ylisoquinolin-3-yl)methyl]-2'-oxospiro[azetidine-3,3'-pyrrolo[2,3-c]pyridine]-1-carboxylate?
methyl 1'-[(7-chloro-4-pyridin-3-ylisoquinolin-3-yl)methyl]-2'-oxospiro[azetidine-3,3'-pyrrolo[2,3-c]pyridine]-1-carboxylate has a molecular weight of 485.93 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1'-[(7-chloro-4-pyridin-3-ylisoquinolin-3-yl)methyl]-2'-oxospiro[azetidine-3,3'-pyrrolo[2,3-c]pyridine]-1-carboxylate is sourced from PubChem (CID 126545102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).