(3R)-3-[4-amino-3-[4-(4-methoxyphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]pyrrolidine-1-carboxylic acid

C24H23N5O5 — CID 174798347

IUPAC(3R)-3-[4-amino-3-[4-(4-methoxyphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]pyrrolidine-1-carboxylic acid
SMILESCOc1ccc(Oc2ccc(-n3c(=O)n([C@@H]4CCN(C(=O)O)C4)c4ccnc(N)c43)cc2)cc1
InChIInChI=1S/C24H23N5O5/c1-33-17-6-8-19(9-7-17)34-18-4-2-15(3-5-18)29-21-20(10-12-26-22(21)25)28(23(29)30)16-11-13-27(14-16)24(31)32/h2-10,12,16H,11,13-14H2,1H3,(H2,25,26)(H,31,32)/t16-/m1/s1
InChIKeyODXZJXKIQCYDQW-MRXNPFEDSA-N
MW461.48 g/mol
LogP3.50
Rot. Bonds5

About (3R)-3-[4-amino-3-[4-(4-methoxyphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]pyrrolidine-1-carboxylic acid

(3R)-3-[4-amino-3-[4-(4-methoxyphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]pyrrolidine-1-carboxylic acid (PubChem CID 174798347) has the molecular formula C24H23N5O5 and a molecular weight of 461.48 g/mol. Its IUPAC name is (3R)-3-[4-amino-3-[4-(4-methoxyphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-[4-amino-3-[4-(4-methoxyphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]pyrrolidine-1-carboxylic acid
PubChem CID174798347
Molecular FormulaC24H23N5O5
Molecular Weight461.48 g/mol
Exact Mass461.17
IUPAC Name(3R)-3-[4-amino-3-[4-(4-methoxyphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]pyrrolidine-1-carboxylic acid
SMILESCOc1ccc(Oc2ccc(-n3c(=O)n([C@@H]4CCN(C(=O)O)C4)c4ccnc(N)c43)cc2)cc1
InChIInChI=1S/C24H23N5O5/c1-33-17-6-8-19(9-7-17)34-18-4-2-15(3-5-18)29-21-20(10-12-26-22(21)25)28(23(29)30)16-11-13-27(14-16)24(31)32/h2-10,12,16H,11,13-14H2,1H3,(H2,25,26)(H,31,32)/t16-/m1/s1
InChIKeyODXZJXKIQCYDQW-MRXNPFEDSA-N
XLogP3.50
TPSA124.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.48
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-[4-amino-3-[4-[4-(dimethylamino)phenoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylic acid
CID 174798356
3-[4-amino-2-oxo-3-(4-pyridin-3-yloxyphenyl)imidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylic acid
CID 174910571
3-[4-amino-3-[4-(4-cyanophenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylic acid
CID 174911224
(3R)-3-[4-amino-3-[4-(1,3-benzodioxol-5-yloxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylic acid
CID 174910588
4-amino-3-[4-[4-(dimethylamino)phenoxy]phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one
CID 126700274
4-amino-1-[(3R)-1-(3-chloropropanoyl)piperidin-3-yl]-3-(4-phenoxyphenyl)imidazo[4,5-c]pyridin-2-one
CID 168956416
4-amino-1-[(3R)-1-[(2S)-2,3-dihydroxypropanoyl]piperidin-3-yl]-3-(4-phenoxyphenyl)imidazo[4,5-c]pyridin-2-one
CID 164557915
4-methoxy-3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one
CID 129052418
2-[(3R)-3-[4-amino-2-oxo-3-(4-phenoxyphenyl)imidazo[4,5-c]pyridin-1-yl]piperidine-1-carbonyl]-3,3,5,5-tetramethylhexanenitrile
CID 157070187
4-amino-1-(1-methylpiperidin-3-yl)-3-(4-pyridin-2-yloxyphenyl)imidazo[4,5-c]pyridin-2-one
CID 145271415
tert-butyl (3R)-3-[4-amino-3-(4-hydroxyphenyl)-2-oxoimidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylate
CID 141449413
2-[(3R)-3-[4-amino-2-oxo-3-(4-phenoxyphenyl)imidazo[4,5-c]pyridin-1-yl]piperidine-1-carbonyl]-4,4-dimethyl-5-(4-methylpiperazin-1-yl)-5-oxopent-2-enenitrile
CID 140876731

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-amino-3-[4-(4-methoxyphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]pyrrolidine-1-carboxylic acid?
The IUPAC name of (3R)-3-[4-amino-3-[4-(4-methoxyphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]pyrrolidine-1-carboxylic acid (CID 174798347) is (3R)-3-[4-amino-3-[4-(4-methoxyphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (3R)-3-[4-amino-3-[4-(4-methoxyphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for (3R)-3-[4-amino-3-[4-(4-methoxyphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]pyrrolidine-1-carboxylic acid is COc1ccc(Oc2ccc(-n3c(=O)n([C@@H]4CCN(C(=O)O)C4)c4ccnc(N)c43)cc2)cc1.
What is the InChIKey of (3R)-3-[4-amino-3-[4-(4-methoxyphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]pyrrolidine-1-carboxylic acid?
The InChIKey is ODXZJXKIQCYDQW-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H23N5O5/c1-33-17-6-8-19(9-7-17)34-18-4-2-15(3-5-18)29-21-20(10-12-26-22(21)25)28(23(29)30)16-11-13-27(14-16)24(31)32/h2-10,12,16H,11,13-14H2,1H3,(H2,25,26)(H,31,32)/t16-/m1/s1.
What are the key properties of (3R)-3-[4-amino-3-[4-(4-methoxyphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]pyrrolidine-1-carboxylic acid?
(3R)-3-[4-amino-3-[4-(4-methoxyphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]pyrrolidine-1-carboxylic acid has a molecular weight of 461.48 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-amino-3-[4-(4-methoxyphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 174798347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).