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

C25H23N5O6 — CID 174910588

IUPAC(3R)-3-[4-amino-3-[4-(1,3-benzodioxol-5-yloxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylic acid
SMILESNc1nccc2c1n(-c1ccc(Oc3ccc4c(c3)OCO4)cc1)c(=O)n2[C@@H]1CCCN(C(=O)O)C1
InChIInChI=1S/C25H23N5O6/c26-23-22-19(9-10-27-23)29(16-2-1-11-28(13-16)25(32)33)24(31)30(22)15-3-5-17(6-4-15)36-18-7-8-20-21(12-18)35-14-34-20/h3-10,12,16H,1-2,11,13-14H2,(H2,26,27)(H,32,33)/t16-/m1/s1
InChIKeyNSBIQFMKVFCHGZ-MRXNPFEDSA-N
MW489.49 g/mol
LogP3.61
Rot. Bonds4

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

(3R)-3-[4-amino-3-[4-(1,3-benzodioxol-5-yloxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylic acid (PubChem CID 174910588) has the molecular formula C25H23N5O6 and a molecular weight of 489.49 g/mol. Its IUPAC name is (3R)-3-[4-amino-3-[4-(1,3-benzodioxol-5-yloxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-[4-amino-3-[4-(1,3-benzodioxol-5-yloxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylic acid
PubChem CID174910588
Molecular FormulaC25H23N5O6
Molecular Weight489.49 g/mol
Exact Mass489.16
IUPAC Name(3R)-3-[4-amino-3-[4-(1,3-benzodioxol-5-yloxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylic acid
SMILESNc1nccc2c1n(-c1ccc(Oc3ccc4c(c3)OCO4)cc1)c(=O)n2[C@@H]1CCCN(C(=O)O)C1
InChIInChI=1S/C25H23N5O6/c26-23-22-19(9-10-27-23)29(16-2-1-11-28(13-16)25(32)33)24(31)30(22)15-3-5-17(6-4-15)36-18-7-8-20-21(12-18)35-14-34-20/h3-10,12,16H,1-2,11,13-14H2,(H2,26,27)(H,32,33)/t16-/m1/s1
InChIKeyNSBIQFMKVFCHGZ-MRXNPFEDSA-N
XLogP3.61
TPSA134.07 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.49
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (3R)-3-[4-amino-3-[4-(1,3-benzodioxol-5-yloxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylic acid with MolForge

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Launch Full Analysis

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-(4-methoxyphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]pyrrolidine-1-carboxylic acid
CID 174798347
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
6-amino-7-[4-(1,3-benzodioxol-5-yloxy)phenyl]-9-(1-but-2-ynoylpyrrolidin-3-yl)purin-8-one
CID 89455507
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
tert-butyl 3-[4-amino-3-(4-iodophenyl)-2-oxoimidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylate
CID 141449406
4-amino-1-(1-methylpiperidin-3-yl)-3-(4-pyridin-2-yloxyphenyl)imidazo[4,5-c]pyridin-2-one
CID 145271415
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-(1,3-benzodioxol-5-yloxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylic acid?
The IUPAC name of (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) is (3R)-3-[4-amino-3-[4-(1,3-benzodioxol-5-yloxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylic acid.
What is the SMILES notation for (3R)-3-[4-amino-3-[4-(1,3-benzodioxol-5-yloxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylic acid?
The canonical SMILES for (3R)-3-[4-amino-3-[4-(1,3-benzodioxol-5-yloxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylic acid is Nc1nccc2c1n(-c1ccc(Oc3ccc4c(c3)OCO4)cc1)c(=O)n2[C@@H]1CCCN(C(=O)O)C1.
What is the InChIKey of (3R)-3-[4-amino-3-[4-(1,3-benzodioxol-5-yloxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylic acid?
The InChIKey is NSBIQFMKVFCHGZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C25H23N5O6/c26-23-22-19(9-10-27-23)29(16-2-1-11-28(13-16)25(32)33)24(31)30(22)15-3-5-17(6-4-15)36-18-7-8-20-21(12-18)35-14-34-20/h3-10,12,16H,1-2,11,13-14H2,(H2,26,27)(H,32,33)/t16-/m1/s1.
What are the key properties of (3R)-3-[4-amino-3-[4-(1,3-benzodioxol-5-yloxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylic acid?
(3R)-3-[4-amino-3-[4-(1,3-benzodioxol-5-yloxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylic acid has a molecular weight of 489.49 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-amino-3-[4-(1,3-benzodioxol-5-yloxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 174910588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).