5-[2-[4-(2-pyrrolo[2,3-b]pyridin-1-ylacetyl)piperazin-1-yl]phenyl]pyridine-2-carboxylic acid

C25H23N5O3 — CID 68793517

IUPAC5-[2-[4-(2-pyrrolo[2,3-b]pyridin-1-ylacetyl)piperazin-1-yl]phenyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccccc2N2CCN(C(=O)Cn3ccc4cccnc43)CC2)cn1
InChIInChI=1S/C25H23N5O3/c31-23(17-30-11-9-18-4-3-10-26-24(18)30)29-14-12-28(13-15-29)22-6-2-1-5-20(22)19-7-8-21(25(32)33)27-16-19/h1-11,16H,12-15,17H2,(H,32,33)
InChIKeyMCFWRBYGTFRSCZ-UHFFFAOYSA-N
MW441.49 g/mol
LogP3.15
Rot. Bonds5

About 5-[2-[4-(2-pyrrolo[2,3-b]pyridin-1-ylacetyl)piperazin-1-yl]phenyl]pyridine-2-carboxylic acid

5-[2-[4-(2-pyrrolo[2,3-b]pyridin-1-ylacetyl)piperazin-1-yl]phenyl]pyridine-2-carboxylic acid (PubChem CID 68793517) has the molecular formula C25H23N5O3 and a molecular weight of 441.49 g/mol. Its IUPAC name is 5-[2-[4-(2-pyrrolo[2,3-b]pyridin-1-ylacetyl)piperazin-1-yl]phenyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-[4-(2-pyrrolo[2,3-b]pyridin-1-ylacetyl)piperazin-1-yl]phenyl]pyridine-2-carboxylic acid
PubChem CID68793517
Molecular FormulaC25H23N5O3
Molecular Weight441.49 g/mol
Exact Mass441.18
IUPAC Name5-[2-[4-(2-pyrrolo[2,3-b]pyridin-1-ylacetyl)piperazin-1-yl]phenyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccccc2N2CCN(C(=O)Cn3ccc4cccnc43)CC2)cn1
InChIInChI=1S/C25H23N5O3/c31-23(17-30-11-9-18-4-3-10-26-24(18)30)29-14-12-28(13-15-29)22-6-2-1-5-20(22)19-7-8-21(25(32)33)27-16-19/h1-11,16H,12-15,17H2,(H,32,33)
InChIKeyMCFWRBYGTFRSCZ-UHFFFAOYSA-N
XLogP3.15
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[2-[4-(2-pyrrolo[2,3-b]pyridin-1-ylacetyl)piperazin-1-yl]phenyl]pyridine-2-carboxylic acid with MolForge

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Related Compounds

2-imidazo[4,5-b]pyridin-3-yl-1-[4-(2-phenylphenyl)piperazin-1-yl]ethanone
CID 59564331
1-[4-[4-fluoro-2-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]phenyl]piperazin-1-yl]-2-pyrrolo[2,3-b]pyridin-1-ylethanone
CID 59564336
2-[4-(2-pyrrolo[2,3-b]pyridin-1-ylacetyl)piperazin-1-yl]-N-quinolin-3-ylbenzamide
CID 59548784
2-[4-[2-(6-methoxy-3-pyridinyl)phenyl]piperazin-1-yl]-2-pyrrolo[2,3-b]pyridin-1-ylacetaldehyde
CID 87068206
2-amino-1-[4-(2-phenylphenyl)piperazin-1-yl]ethanone
CID 59564588
1-[4-[4-fluoro-2-(2-methylsulfonylpyrimidin-5-yl)phenyl]piperazin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone
CID 68761984
1-[4-(1,1-difluoroethyl)-2-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]-4-(2-pyrrolo[2,3-b]pyridin-1-ylacetyl)piperazin-2-one
CID 91486982
1-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-2-(2-phenylimidazol-1-yl)ethanone
CID 72925608
1-[2-[4-[5-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]-2-oxoethyl]pyridin-2-one
CID 155870446
1-[4-[2-[4-(dimethylaminosulfanyl)phenyl]phenyl]piperazin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 91567556
8-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one
CID 22553372
1-(4-quinolin-8-ylpiperazin-1-yl)propan-1-one
CID 113079712

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(2-pyrrolo[2,3-b]pyridin-1-ylacetyl)piperazin-1-yl]phenyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[2-[4-(2-pyrrolo[2,3-b]pyridin-1-ylacetyl)piperazin-1-yl]phenyl]pyridine-2-carboxylic acid (CID 68793517) is 5-[2-[4-(2-pyrrolo[2,3-b]pyridin-1-ylacetyl)piperazin-1-yl]phenyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[2-[4-(2-pyrrolo[2,3-b]pyridin-1-ylacetyl)piperazin-1-yl]phenyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[2-[4-(2-pyrrolo[2,3-b]pyridin-1-ylacetyl)piperazin-1-yl]phenyl]pyridine-2-carboxylic acid is O=C(O)c1ccc(-c2ccccc2N2CCN(C(=O)Cn3ccc4cccnc43)CC2)cn1.
What is the InChIKey of 5-[2-[4-(2-pyrrolo[2,3-b]pyridin-1-ylacetyl)piperazin-1-yl]phenyl]pyridine-2-carboxylic acid?
The InChIKey is MCFWRBYGTFRSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O3/c31-23(17-30-11-9-18-4-3-10-26-24(18)30)29-14-12-28(13-15-29)22-6-2-1-5-20(22)19-7-8-21(25(32)33)27-16-19/h1-11,16H,12-15,17H2,(H,32,33).
What are the key properties of 5-[2-[4-(2-pyrrolo[2,3-b]pyridin-1-ylacetyl)piperazin-1-yl]phenyl]pyridine-2-carboxylic acid?
5-[2-[4-(2-pyrrolo[2,3-b]pyridin-1-ylacetyl)piperazin-1-yl]phenyl]pyridine-2-carboxylic acid has a molecular weight of 441.49 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(2-pyrrolo[2,3-b]pyridin-1-ylacetyl)piperazin-1-yl]phenyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 68793517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).