4-(pyrrolo[2,3-c]pyridin-1-ylmethyl)cyclohexane-1-carboxylic acid

C15H18N2O2 — CID 172581981

IUPAC4-(pyrrolo[2,3-c]pyridin-1-ylmethyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(Cn2ccc3ccncc32)CC1
InChIInChI=1S/C15H18N2O2/c18-15(19)13-3-1-11(2-4-13)10-17-8-6-12-5-7-16-9-14(12)17/h5-9,11,13H,1-4,10H2,(H,18,19)
InChIKeyBAOQUKYJICPAIH-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.93
Rot. Bonds3

About 4-(pyrrolo[2,3-c]pyridin-1-ylmethyl)cyclohexane-1-carboxylic acid

4-(pyrrolo[2,3-c]pyridin-1-ylmethyl)cyclohexane-1-carboxylic acid (PubChem CID 172581981) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-(pyrrolo[2,3-c]pyridin-1-ylmethyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(pyrrolo[2,3-c]pyridin-1-ylmethyl)cyclohexane-1-carboxylic acid
PubChem CID172581981
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name4-(pyrrolo[2,3-c]pyridin-1-ylmethyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(Cn2ccc3ccncc32)CC1
InChIInChI=1S/C15H18N2O2/c18-15(19)13-3-1-11(2-4-13)10-17-8-6-12-5-7-16-9-14(12)17/h5-9,11,13H,1-4,10H2,(H,18,19)
InChIKeyBAOQUKYJICPAIH-UHFFFAOYSA-N
XLogP2.93
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(pyrrolo[2,3-c]pyridin-1-ylmethyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(pyrrolo[2,3-c]pyridin-1-ylmethyl)cyclohexane-1-carboxylic acid (CID 172581981) is 4-(pyrrolo[2,3-c]pyridin-1-ylmethyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(pyrrolo[2,3-c]pyridin-1-ylmethyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(pyrrolo[2,3-c]pyridin-1-ylmethyl)cyclohexane-1-carboxylic acid is O=C(O)C1CCC(Cn2ccc3ccncc32)CC1.
What is the InChIKey of 4-(pyrrolo[2,3-c]pyridin-1-ylmethyl)cyclohexane-1-carboxylic acid?
The InChIKey is BAOQUKYJICPAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c18-15(19)13-3-1-11(2-4-13)10-17-8-6-12-5-7-16-9-14(12)17/h5-9,11,13H,1-4,10H2,(H,18,19).
What are the key properties of 4-(pyrrolo[2,3-c]pyridin-1-ylmethyl)cyclohexane-1-carboxylic acid?
4-(pyrrolo[2,3-c]pyridin-1-ylmethyl)cyclohexane-1-carboxylic acid has a molecular weight of 258.32 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyrrolo[2,3-c]pyridin-1-ylmethyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 172581981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).