1-(cyclopropylmethyl)-7-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carboxylic acid

C23H27N3O2 — CID 178179413

IUPAC1-(cyclopropylmethyl)-7-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carboxylic acid
SMILESCc1cccc(C)c1CNc1nc(C(=O)O)cc2c(C)c(C)n(CC3CC3)c12
InChIInChI=1S/C23H27N3O2/c1-13-6-5-7-14(2)19(13)11-24-22-21-18(10-20(25-22)23(27)28)15(3)16(4)26(21)12-17-8-9-17/h5-7,10,17H,8-9,11-12H2,1-4H3,(H,24,25)(H,27,28)
InChIKeyJGPWJWGEMOZEPI-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.99
Rot. Bonds6

About 1-(cyclopropylmethyl)-7-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carboxylic acid

1-(cyclopropylmethyl)-7-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carboxylic acid (PubChem CID 178179413) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-7-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-7-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carboxylic acid
PubChem CID178179413
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name1-(cyclopropylmethyl)-7-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carboxylic acid
SMILESCc1cccc(C)c1CNc1nc(C(=O)O)cc2c(C)c(C)n(CC3CC3)c12
InChIInChI=1S/C23H27N3O2/c1-13-6-5-7-14(2)19(13)11-24-22-21-18(10-20(25-22)23(27)28)15(3)16(4)26(21)12-17-8-9-17/h5-7,10,17H,8-9,11-12H2,1-4H3,(H,24,25)(H,27,28)
InChIKeyJGPWJWGEMOZEPI-UHFFFAOYSA-N
XLogP4.99
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-7-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carboxylic acid?
The IUPAC name of 1-(cyclopropylmethyl)-7-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carboxylic acid (CID 178179413) is 1-(cyclopropylmethyl)-7-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carboxylic acid.
What is the SMILES notation for 1-(cyclopropylmethyl)-7-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carboxylic acid?
The canonical SMILES for 1-(cyclopropylmethyl)-7-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carboxylic acid is Cc1cccc(C)c1CNc1nc(C(=O)O)cc2c(C)c(C)n(CC3CC3)c12.
What is the InChIKey of 1-(cyclopropylmethyl)-7-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carboxylic acid?
The InChIKey is JGPWJWGEMOZEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-13-6-5-7-14(2)19(13)11-24-22-21-18(10-20(25-22)23(27)28)15(3)16(4)26(21)12-17-8-9-17/h5-7,10,17H,8-9,11-12H2,1-4H3,(H,24,25)(H,27,28).
What are the key properties of 1-(cyclopropylmethyl)-7-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carboxylic acid?
1-(cyclopropylmethyl)-7-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carboxylic acid has a molecular weight of 377.49 g/mol, XLogP of 4.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-7-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carboxylic acid is sourced from PubChem (CID 178179413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).