2-[1-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]phenyl]-6-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid

C23H25N3O3 — CID 71222531

IUPAC2-[1-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]phenyl]-6-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid
SMILESCCN(Cc1ccccc1-n1cc(CC(=O)O)c2ccc(C)nc21)C(=O)C1CC1
InChIInChI=1S/C23H25N3O3/c1-3-25(23(29)16-9-10-16)13-17-6-4-5-7-20(17)26-14-18(12-21(27)28)19-11-8-15(2)24-22(19)26/h4-8,11,14,16H,3,9-10,12-13H2,1-2H3,(H,27,28)
InChIKeyXEVJNZJFNPNRFH-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.72
Rot. Bonds7

About 2-[1-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]phenyl]-6-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid

2-[1-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]phenyl]-6-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid (PubChem CID 71222531) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 2-[1-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]phenyl]-6-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]phenyl]-6-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid
PubChem CID71222531
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name2-[1-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]phenyl]-6-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid
SMILESCCN(Cc1ccccc1-n1cc(CC(=O)O)c2ccc(C)nc21)C(=O)C1CC1
InChIInChI=1S/C23H25N3O3/c1-3-25(23(29)16-9-10-16)13-17-6-4-5-7-20(17)26-14-18(12-21(27)28)19-11-8-15(2)24-22(19)26/h4-8,11,14,16H,3,9-10,12-13H2,1-2H3,(H,27,28)
InChIKeyXEVJNZJFNPNRFH-UHFFFAOYSA-N
XLogP3.72
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]phenyl]-6-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid with MolForge

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Related Compounds

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CID 68752
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CID 71225655
2-[3-[(7-Cyclohexylpyrrolo[2,3-d]pyrimidin-2-yl)amino]phenyl]acetic acid
CID 44417820
[4-(2-ethyl-3H-imidazo[4,5-b]pyridin-3-yl)phenyl]acetic acid
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CID 10836594
[1-(4-Methanesulfinyl-benzyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl]-acetic acid
CID 11530248
2-[1-[(2-Chlorophenyl)methyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid
CID 11536944
2-[1-[(4-Chlorophenyl)methyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid
CID 11573244
2-(2-methyl-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid
CID 11573475
(1-Benzyl-2-methyl-1h-pyrrolo[2,3-b]pyridin-3-yl)-acetic acid
CID 11608862
2-[2-Methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-3-yl]acetic acid
CID 11645962
2-[2-Methyl-1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]acetic acid
CID 11652270

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]phenyl]-6-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid?
The IUPAC name of 2-[1-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]phenyl]-6-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid (CID 71222531) is 2-[1-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]phenyl]-6-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]phenyl]-6-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]phenyl]-6-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid is CCN(Cc1ccccc1-n1cc(CC(=O)O)c2ccc(C)nc21)C(=O)C1CC1.
What is the InChIKey of 2-[1-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]phenyl]-6-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid?
The InChIKey is XEVJNZJFNPNRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-3-25(23(29)16-9-10-16)13-17-6-4-5-7-20(17)26-14-18(12-21(27)28)19-11-8-15(2)24-22(19)26/h4-8,11,14,16H,3,9-10,12-13H2,1-2H3,(H,27,28).
What are the key properties of 2-[1-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]phenyl]-6-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid?
2-[1-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]phenyl]-6-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid has a molecular weight of 391.47 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]phenyl]-6-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid is sourced from PubChem (CID 71222531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).