(2R)-6-chloro-N-[3-[[2-[(2-methoxy-1,2-dihydropyrimidin-5-yl)oxy]acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide

C22H23ClN4O6 — CID 155716998

IUPAC(2R)-6-chloro-N-[3-[[2-[(2-methoxy-1,2-dihydropyrimidin-5-yl)oxy]acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide
SMILESCOC1N=CC(OCC(=O)NC23CC(NC(=O)[C@H]4CC(=O)c5cc(Cl)ccc5O4)(C2)C3)=CN1
InChIInChI=1S/C22H23ClN4O6/c1-31-20-24-6-13(7-25-20)32-8-18(29)26-21-9-22(10-21,11-21)27-19(30)17-5-15(28)14-4-12(23)2-3-16(14)33-17/h2-4,6-7,17,20,24H,5,8-11H2,1H3,(H,26,29)(H,27,30)/t17-,20?,21?,22?/m1/s1
InChIKeyCPYQRYXUMVBXIM-LAQKFSSHSA-N
MW474.90 g/mol
LogP1.04
Rot. Bonds7

About (2R)-6-chloro-N-[3-[[2-[(2-methoxy-1,2-dihydropyrimidin-5-yl)oxy]acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide

(2R)-6-chloro-N-[3-[[2-[(2-methoxy-1,2-dihydropyrimidin-5-yl)oxy]acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide (PubChem CID 155716998) has the molecular formula C22H23ClN4O6 and a molecular weight of 474.90 g/mol. Its IUPAC name is (2R)-6-chloro-N-[3-[[2-[(2-methoxy-1,2-dihydropyrimidin-5-yl)oxy]acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide.

Molecular Properties

Compound Name(2R)-6-chloro-N-[3-[[2-[(2-methoxy-1,2-dihydropyrimidin-5-yl)oxy]acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide
PubChem CID155716998
Molecular FormulaC22H23ClN4O6
Molecular Weight474.90 g/mol
Exact Mass474.13
IUPAC Name(2R)-6-chloro-N-[3-[[2-[(2-methoxy-1,2-dihydropyrimidin-5-yl)oxy]acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide
SMILESCOC1N=CC(OCC(=O)NC23CC(NC(=O)[C@H]4CC(=O)c5cc(Cl)ccc5O4)(C2)C3)=CN1
InChIInChI=1S/C22H23ClN4O6/c1-31-20-24-6-13(7-25-20)32-8-18(29)26-21-9-22(10-21,11-21)27-19(30)17-5-15(28)14-4-12(23)2-3-16(14)33-17/h2-4,6-7,17,20,24H,5,8-11H2,1H3,(H,26,29)(H,27,30)/t17-,20?,21?,22?/m1/s1
InChIKeyCPYQRYXUMVBXIM-LAQKFSSHSA-N
XLogP1.04
TPSA127.35 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.90
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (2R)-6-chloro-N-[3-[[2-[(2-methoxy-1,2-dihydropyrimidin-5-yl)oxy]acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide 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

(2R)-6-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide
CID 155256713
6-chloro-N-[4-(methylamino)-1-bicyclo[2.1.1]hexanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide
CID 155716953
(2S)-N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6,7-difluoro-4-oxo-2,3-dihydrochromene-2-carboxamide
CID 155257050
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methyl-4-oxo-2,3-dihydrochromene-2-carboxamide
CID 163445519
(2R)-6-chloro-N-[3-[4-(3,4-difluorophenyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide
CID 155254288
(2R)-6-chloro-N-[3-[3-(4-chlorophenyl)-2-oxopyrrolidin-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide
CID 155254696
(2R)-6-chloro-N-[3-[3-(4-chlorophenyl)-2-oxoimidazolidin-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide
CID 155254274
(2S)-6-chloro-4-oxo-N-pyridin-4-yl-2,3-dihydrochromene-2-carboxamide
CID 26415416
tert-butyl N-[(2R)-4-[[(2S)-6-chloro-4-oxo-2,3-dihydrochromene-2-carbonyl]amino]-2-hydroxy-1-bicyclo[2.2.2]octanyl]carbamate
CID 155634448
[(2S)-4-[(6-chloro-4-oxo-2,3-dihydrochromene-2-carbonyl)amino]-2-hydroxy-1-bicyclo[2.2.2]octanyl]carbamic acid
CID 155256863
(2R,4R)-6-chloro-N-[3-[[2-(3,4-difluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide
CID 155256995
(2R)-6-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 142586654

Frequently Asked Questions

What is the IUPAC name of (2R)-6-chloro-N-[3-[[2-[(2-methoxy-1,2-dihydropyrimidin-5-yl)oxy]acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide?
The IUPAC name of (2R)-6-chloro-N-[3-[[2-[(2-methoxy-1,2-dihydropyrimidin-5-yl)oxy]acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide (CID 155716998) is (2R)-6-chloro-N-[3-[[2-[(2-methoxy-1,2-dihydropyrimidin-5-yl)oxy]acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide.
What is the SMILES notation for (2R)-6-chloro-N-[3-[[2-[(2-methoxy-1,2-dihydropyrimidin-5-yl)oxy]acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide?
The canonical SMILES for (2R)-6-chloro-N-[3-[[2-[(2-methoxy-1,2-dihydropyrimidin-5-yl)oxy]acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide is COC1N=CC(OCC(=O)NC23CC(NC(=O)[C@H]4CC(=O)c5cc(Cl)ccc5O4)(C2)C3)=CN1.
What is the InChIKey of (2R)-6-chloro-N-[3-[[2-[(2-methoxy-1,2-dihydropyrimidin-5-yl)oxy]acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide?
The InChIKey is CPYQRYXUMVBXIM-LAQKFSSHSA-N. The full InChI is InChI=1S/C22H23ClN4O6/c1-31-20-24-6-13(7-25-20)32-8-18(29)26-21-9-22(10-21,11-21)27-19(30)17-5-15(28)14-4-12(23)2-3-16(14)33-17/h2-4,6-7,17,20,24H,5,8-11H2,1H3,(H,26,29)(H,27,30)/t17-,20?,21?,22?/m1/s1.
What are the key properties of (2R)-6-chloro-N-[3-[[2-[(2-methoxy-1,2-dihydropyrimidin-5-yl)oxy]acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide?
(2R)-6-chloro-N-[3-[[2-[(2-methoxy-1,2-dihydropyrimidin-5-yl)oxy]acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide has a molecular weight of 474.90 g/mol, XLogP of 1.04, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-chloro-N-[3-[[2-[(2-methoxy-1,2-dihydropyrimidin-5-yl)oxy]acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide is sourced from PubChem (CID 155716998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).