6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid

C18H18N2O3 — CID 89134288

IUPAC6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
SMILESC=C1C=Cc2cc(C(=O)O)[nH]c2N1c1ccc(OC(C)C)cc1
InChIInChI=1S/C18H18N2O3/c1-11(2)23-15-8-6-14(7-9-15)20-12(3)4-5-13-10-16(18(21)22)19-17(13)20/h4-11,19H,3H2,1-2H3,(H,21,22)
InChIKeyVYVRTBORYONFLZ-UHFFFAOYSA-N
MW310.35 g/mol
LogP4.18
Rot. Bonds4

About 6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid

6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid (PubChem CID 89134288) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
PubChem CID89134288
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
SMILESC=C1C=Cc2cc(C(=O)O)[nH]c2N1c1ccc(OC(C)C)cc1
InChIInChI=1S/C18H18N2O3/c1-11(2)23-15-8-6-14(7-9-15)20-12(3)4-5-13-10-16(18(21)22)19-17(13)20/h4-11,19H,3H2,1-2H3,(H,21,22)
InChIKeyVYVRTBORYONFLZ-UHFFFAOYSA-N
XLogP4.18
TPSA65.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-piperazin-1-ylmethanone
CID 89134336
N-methyl-6-methylidene-N-propan-2-yl-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 89134359
6-methylidene-7-(4-propan-2-yloxyphenyl)-N-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone;[6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone;[6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone
CID 160687971
2,4-dioxo-1-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxylic acid
CID 79874433
(4-tert-butylphenyl)-[4-(4-propan-2-yloxyphenyl)piperazin-1-yl]methanone
CID 113077721
(4-methoxyphenyl)-[4-(4-propan-2-yloxyphenyl)piperazin-1-yl]methanone
CID 113077716
fluoro 4-propan-2-yloxybenzoate
CID 174701102
4-(4-propan-2-yloxybenzoyl)oxybenzoic acid
CID 54854478
(4-propan-2-yloxybenzoyl)chloranium
CID 143172095
5-methyl-3-(4-propan-2-yloxyphenyl)imidazole-4-carboxylic acid
CID 82484395
4-oxo-1-(4-propan-2-yloxyphenyl)pyridazine-3-carboxylic acid
CID 63952012
1-(4-propan-2-yloxybenzoyl)piperidine-4-carboxylic acid
CID 17200636

Frequently Asked Questions

What is the IUPAC name of 6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid (CID 89134288) is 6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid is C=C1C=Cc2cc(C(=O)O)[nH]c2N1c1ccc(OC(C)C)cc1.
What is the InChIKey of 6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is VYVRTBORYONFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-11(2)23-15-8-6-14(7-9-15)20-12(3)4-5-13-10-16(18(21)22)19-17(13)20/h4-11,19H,3H2,1-2H3,(H,21,22).
What are the key properties of 6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid?
6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 310.35 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 89134288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).