5-(cyclopropylmethoxy)-4-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)-1H-indole-2-carboxylic acid

C21H19N3O4 — CID 90417773

IUPAC5-(cyclopropylmethoxy)-4-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)-1H-indole-2-carboxylic acid
SMILESCn1cc(-c2c(OCC3CC3)ccc3[nH]c(C(=O)O)cc23)c2cc[nH]c(=O)c21
InChIInChI=1S/C21H19N3O4/c1-24-9-14(12-6-7-22-20(25)19(12)24)18-13-8-16(21(26)27)23-15(13)4-5-17(18)28-10-11-2-3-11/h4-9,11,23H,2-3,10H2,1H3,(H,22,25)(H,26,27)
InChIKeyGXUCQPUECLSFIJ-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.50
Rot. Bonds5

About 5-(cyclopropylmethoxy)-4-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)-1H-indole-2-carboxylic acid

5-(cyclopropylmethoxy)-4-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)-1H-indole-2-carboxylic acid (PubChem CID 90417773) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is 5-(cyclopropylmethoxy)-4-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name5-(cyclopropylmethoxy)-4-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)-1H-indole-2-carboxylic acid
PubChem CID90417773
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Name5-(cyclopropylmethoxy)-4-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)-1H-indole-2-carboxylic acid
SMILESCn1cc(-c2c(OCC3CC3)ccc3[nH]c(C(=O)O)cc23)c2cc[nH]c(=O)c21
InChIInChI=1S/C21H19N3O4/c1-24-9-14(12-6-7-22-20(25)19(12)24)18-13-8-16(21(26)27)23-15(13)4-5-17(18)28-10-11-2-3-11/h4-9,11,23H,2-3,10H2,1H3,(H,22,25)(H,26,27)
InChIKeyGXUCQPUECLSFIJ-UHFFFAOYSA-N
XLogP3.50
TPSA100.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethoxy)-4-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)-1H-indole-2-carboxylic acid?
The IUPAC name of 5-(cyclopropylmethoxy)-4-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)-1H-indole-2-carboxylic acid (CID 90417773) is 5-(cyclopropylmethoxy)-4-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)-1H-indole-2-carboxylic acid.
What is the SMILES notation for 5-(cyclopropylmethoxy)-4-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)-1H-indole-2-carboxylic acid?
The canonical SMILES for 5-(cyclopropylmethoxy)-4-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)-1H-indole-2-carboxylic acid is Cn1cc(-c2c(OCC3CC3)ccc3[nH]c(C(=O)O)cc23)c2cc[nH]c(=O)c21.
What is the InChIKey of 5-(cyclopropylmethoxy)-4-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)-1H-indole-2-carboxylic acid?
The InChIKey is GXUCQPUECLSFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-24-9-14(12-6-7-22-20(25)19(12)24)18-13-8-16(21(26)27)23-15(13)4-5-17(18)28-10-11-2-3-11/h4-9,11,23H,2-3,10H2,1H3,(H,22,25)(H,26,27).
What are the key properties of 5-(cyclopropylmethoxy)-4-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)-1H-indole-2-carboxylic acid?
5-(cyclopropylmethoxy)-4-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)-1H-indole-2-carboxylic acid has a molecular weight of 377.40 g/mol, XLogP of 3.50, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethoxy)-4-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)-1H-indole-2-carboxylic acid is sourced from PubChem (CID 90417773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).