2-[1-[(4-methoxyphenyl)methyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid

C18H18N2O3 — CID 11709353

IUPAC2-[1-[(4-methoxyphenyl)methyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid
SMILESCOc1ccc(Cn2c(C)c(CC(=O)O)c3cccnc32)cc1
InChIInChI=1S/C18H18N2O3/c1-12-16(10-17(21)22)15-4-3-9-19-18(15)20(12)11-13-5-7-14(23-2)8-6-13/h3-9H,10-11H2,1-2H3,(H,21,22)
InChIKeyKDVHQSDKFPRKOR-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.03
Rot. Bonds5

About 2-[1-[(4-methoxyphenyl)methyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid

2-[1-[(4-methoxyphenyl)methyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid (PubChem CID 11709353) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-[1-[(4-methoxyphenyl)methyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-methoxyphenyl)methyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid
PubChem CID11709353
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name2-[1-[(4-methoxyphenyl)methyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid
SMILESCOc1ccc(Cn2c(C)c(CC(=O)O)c3cccnc32)cc1
InChIInChI=1S/C18H18N2O3/c1-12-16(10-17(21)22)15-4-3-9-19-18(15)20(12)11-13-5-7-14(23-2)8-6-13/h3-9H,10-11H2,1-2H3,(H,21,22)
InChIKeyKDVHQSDKFPRKOR-UHFFFAOYSA-N
XLogP3.03
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

trans-4-[4-[4-(5-Fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-1(2H)-pyridinyl]cyclohexaneacetic acid
CID 90411536
CID 139035060
CID 139035060
6-(4-methoxybenzyl)-7-neopentyl-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
CID 44444208
Propan-2-yl 4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzoate
CID 134179845
1-[(4-Propan-2-yloxyphenyl)methyl]-4-[[2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]piperidin-4-ol
CID 92580325
3-[1-(3-Amino-propyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-4-(2-methoxy-phenyl)-pyrrole-2,5-dione
CID 10248940
3-[1-(3-Hydroxy-propyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-4-(2-methoxy-phenyl)-pyrrole-2,5-dione
CID 10339551
(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
2-[1-[(3,4-Difluorophenyl)methyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid
CID 11674088
4-((2-cyano-7-(2-cyclohexylethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl)methoxy)benzoic acid
CID 44568190

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-methoxyphenyl)methyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid?
The IUPAC name of 2-[1-[(4-methoxyphenyl)methyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid (CID 11709353) is 2-[1-[(4-methoxyphenyl)methyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[(4-methoxyphenyl)methyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[(4-methoxyphenyl)methyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid is COc1ccc(Cn2c(C)c(CC(=O)O)c3cccnc32)cc1.
What is the InChIKey of 2-[1-[(4-methoxyphenyl)methyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid?
The InChIKey is KDVHQSDKFPRKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-12-16(10-17(21)22)15-4-3-9-19-18(15)20(12)11-13-5-7-14(23-2)8-6-13/h3-9H,10-11H2,1-2H3,(H,21,22).
What are the key properties of 2-[1-[(4-methoxyphenyl)methyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid?
2-[1-[(4-methoxyphenyl)methyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid has a molecular weight of 310.35 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-methoxyphenyl)methyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid is sourced from PubChem (CID 11709353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).