[6-[2-chloro-3-[3-chloro-2-[2-[(3-hydroxy-3-methylazetidin-1-yl)methyl]-8-methoxyimidazo[1,2-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl-[(5-oxopyrrolidin-2-yl)methyl]carbamic acid

C37H37Cl2N7O6 — CID 174187069

IUPAC[6-[2-chloro-3-[3-chloro-2-[2-[(3-hydroxy-3-methylazetidin-1-yl)methyl]-8-methoxyimidazo[1,2-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl-[(5-oxopyrrolidin-2-yl)methyl]carbamic acid
SMILESCOc1nc(-c2cccc(-c3ccnc(-c4cc(OC)c5nc(CN6CC(C)(O)C6)cn5c4)c3Cl)c2Cl)ccc1CN(CC1CCC(=O)N1)C(=O)O
InChIInChI=1S/C37H37Cl2N7O6/c1-37(50)19-44(20-37)16-24-18-45-15-22(13-29(51-2)34(45)42-24)33-32(39)26(11-12-40-33)25-5-4-6-27(31(25)38)28-9-7-21(35(43-28)52-3)14-46(36(48)49)17-23-8-10-30(47)41-23/h4-7,9,11-13,15,18,23,50H,8,10,14,16-17,19-20H2,1-3H3,(H,41,47)(H,48,49)
InChIKeyNCMRLAUGJMJJNT-UHFFFAOYSA-N
MW746.65 g/mol
LogP5.77
Rot. Bonds11

About [6-[2-chloro-3-[3-chloro-2-[2-[(3-hydroxy-3-methylazetidin-1-yl)methyl]-8-methoxyimidazo[1,2-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl-[(5-oxopyrrolidin-2-yl)methyl]carbamic acid

[6-[2-chloro-3-[3-chloro-2-[2-[(3-hydroxy-3-methylazetidin-1-yl)methyl]-8-methoxyimidazo[1,2-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl-[(5-oxopyrrolidin-2-yl)methyl]carbamic acid (PubChem CID 174187069) has the molecular formula C37H37Cl2N7O6 and a molecular weight of 746.65 g/mol. Its IUPAC name is [6-[2-chloro-3-[3-chloro-2-[2-[(3-hydroxy-3-methylazetidin-1-yl)methyl]-8-methoxyimidazo[1,2-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl-[(5-oxopyrrolidin-2-yl)methyl]carbamic acid.

Molecular Properties

Compound Name[6-[2-chloro-3-[3-chloro-2-[2-[(3-hydroxy-3-methylazetidin-1-yl)methyl]-8-methoxyimidazo[1,2-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl-[(5-oxopyrrolidin-2-yl)methyl]carbamic acid
PubChem CID174187069
Molecular FormulaC37H37Cl2N7O6
Molecular Weight746.65 g/mol
Exact Mass745.22
IUPAC Name[6-[2-chloro-3-[3-chloro-2-[2-[(3-hydroxy-3-methylazetidin-1-yl)methyl]-8-methoxyimidazo[1,2-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl-[(5-oxopyrrolidin-2-yl)methyl]carbamic acid
SMILESCOc1nc(-c2cccc(-c3ccnc(-c4cc(OC)c5nc(CN6CC(C)(O)C6)cn5c4)c3Cl)c2Cl)ccc1CN(CC1CCC(=O)N1)C(=O)O
InChIInChI=1S/C37H37Cl2N7O6/c1-37(50)19-44(20-37)16-24-18-45-15-22(13-29(51-2)34(45)42-24)33-32(39)26(11-12-40-33)25-5-4-6-27(31(25)38)28-9-7-21(35(43-28)52-3)14-46(36(48)49)17-23-8-10-30(47)41-23/h4-7,9,11-13,15,18,23,50H,8,10,14,16-17,19-20H2,1-3H3,(H,41,47)(H,48,49)
InChIKeyNCMRLAUGJMJJNT-UHFFFAOYSA-N
XLogP5.77
TPSA154.65 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.65
LogP ≤ 55.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze [6-[2-chloro-3-[3-chloro-2-[2-[(3-hydroxy-3-methylazetidin-1-yl)methyl]-8-methoxyimidazo[1,2-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl-[(5-oxopyrrolidin-2-yl)methyl]carbamic acid with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[[6-[2-chloro-3-[3-chloro-2-[8-methoxy-2-[(6-oxo-2,7-diazaspiro[3.4]octan-2-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamate
CID 170697191
tert-butyl N-[[6-[2-chloro-3-[3-chloro-2-[2-[[(3-hydroxy-3-methylcyclobutyl)amino]methyl]-8-methoxyimidazo[1,2-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamate
CID 175802848
[6-[2-chloro-3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl-[(5-oxopyrrolidin-2-yl)methyl]carbamic acid
CID 174187290
[6-[2-chloro-3-[3-chloro-2-[8-methoxy-2-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamic acid
CID 174187442
2-[[6-[3-chloro-4-[2-chloro-3-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]-2-pyridinyl]-8-methoxyimidazo[1,2-a]pyridin-2-yl]methyl]-2,7-diazaspiro[3.4]octan-6-one
CID 170697073
5-[[[6-[2-chloro-3-[3-chloro-2-[2-[[(3-hydroxy-3-methylcyclobutyl)amino]methyl]-8-methoxyimidazo[1,2-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one
CID 174186674
1-[[6-[3-chloro-4-[2-chloro-3-[6-methoxy-5-[[(2-methylpropan-2-yl)oxycarbonyl-[(5-oxopyrrolidin-2-yl)methyl]amino]methyl]-2-pyridinyl]phenyl]-2-pyridinyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]azetidine-3-carboxylic acid
CID 174187563
[6-[2-chloro-3-[3-chloro-2-[8-fluoro-2-[(5-oxopyrrolidin-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl-[(5-oxopyrrolidin-2-yl)methyl]carbamic acid
CID 174187032
[4-[3-chloro-4-[2-chloro-3-[1-methyl-3-[(6-oxo-2,7-diazaspiro[3.4]octan-2-yl)methyl]pyrrolo[2,3-b]pyridin-6-yl]phenyl]-2-pyridinyl]-2-methoxyphenyl]methyl-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamic acid
CID 174186955
(5R)-5-[[[4-[3-chloro-4-[2-chloro-3-[6-methoxy-5-[[methyl-[[(2S)-5-oxopyrrolidin-2-yl]methyl]amino]methyl]-2-pyridinyl]phenyl]-2-pyridinyl]-2-methoxyphenyl]methyl-methylamino]methyl]pyrrolidin-2-one
CID 170697192
1-[[4-[3-chloro-4-[2-chloro-3-[6-methoxy-5-[[(2-methylpropan-2-yl)oxycarbonyl-[(5-oxopyrrolidin-2-yl)methyl]amino]methyl]-2-pyridinyl]phenyl]-2-pyridinyl]-2-methoxyphenyl]methyl]pyrrolidine-2-carboxylic acid
CID 174187235
[6-[2-chloro-3-[2-chloro-3-[2-[(2R)-2-hydroxypropyl]-8-methoxy-3,4-dihydro-1H-isoquinolin-6-yl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamic acid
CID 166693236

Frequently Asked Questions

What is the IUPAC name of [6-[2-chloro-3-[3-chloro-2-[2-[(3-hydroxy-3-methylazetidin-1-yl)methyl]-8-methoxyimidazo[1,2-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl-[(5-oxopyrrolidin-2-yl)methyl]carbamic acid?
The IUPAC name of [6-[2-chloro-3-[3-chloro-2-[2-[(3-hydroxy-3-methylazetidin-1-yl)methyl]-8-methoxyimidazo[1,2-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl-[(5-oxopyrrolidin-2-yl)methyl]carbamic acid (CID 174187069) is [6-[2-chloro-3-[3-chloro-2-[2-[(3-hydroxy-3-methylazetidin-1-yl)methyl]-8-methoxyimidazo[1,2-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl-[(5-oxopyrrolidin-2-yl)methyl]carbamic acid.
What is the SMILES notation for [6-[2-chloro-3-[3-chloro-2-[2-[(3-hydroxy-3-methylazetidin-1-yl)methyl]-8-methoxyimidazo[1,2-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl-[(5-oxopyrrolidin-2-yl)methyl]carbamic acid?
The canonical SMILES for [6-[2-chloro-3-[3-chloro-2-[2-[(3-hydroxy-3-methylazetidin-1-yl)methyl]-8-methoxyimidazo[1,2-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl-[(5-oxopyrrolidin-2-yl)methyl]carbamic acid is COc1nc(-c2cccc(-c3ccnc(-c4cc(OC)c5nc(CN6CC(C)(O)C6)cn5c4)c3Cl)c2Cl)ccc1CN(CC1CCC(=O)N1)C(=O)O.
What is the InChIKey of [6-[2-chloro-3-[3-chloro-2-[2-[(3-hydroxy-3-methylazetidin-1-yl)methyl]-8-methoxyimidazo[1,2-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl-[(5-oxopyrrolidin-2-yl)methyl]carbamic acid?
The InChIKey is NCMRLAUGJMJJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H37Cl2N7O6/c1-37(50)19-44(20-37)16-24-18-45-15-22(13-29(51-2)34(45)42-24)33-32(39)26(11-12-40-33)25-5-4-6-27(31(25)38)28-9-7-21(35(43-28)52-3)14-46(36(48)49)17-23-8-10-30(47)41-23/h4-7,9,11-13,15,18,23,50H,8,10,14,16-17,19-20H2,1-3H3,(H,41,47)(H,48,49).
What are the key properties of [6-[2-chloro-3-[3-chloro-2-[2-[(3-hydroxy-3-methylazetidin-1-yl)methyl]-8-methoxyimidazo[1,2-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl-[(5-oxopyrrolidin-2-yl)methyl]carbamic acid?
[6-[2-chloro-3-[3-chloro-2-[2-[(3-hydroxy-3-methylazetidin-1-yl)methyl]-8-methoxyimidazo[1,2-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl-[(5-oxopyrrolidin-2-yl)methyl]carbamic acid has a molecular weight of 746.65 g/mol, XLogP of 5.77, 11 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-chloro-3-[3-chloro-2-[2-[(3-hydroxy-3-methylazetidin-1-yl)methyl]-8-methoxyimidazo[1,2-a]pyridin-6-yl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl-[(5-oxopyrrolidin-2-yl)methyl]carbamic acid is sourced from PubChem (CID 174187069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).