3-[6-[[6-cyclopropyl-2-(1-methylcyclopropyl)-1H-indol-3-yl]methyl]-2-pyridinyl]prop-2-ynoic acid

C24H22N2O2 — CID 72950271

IUPAC3-[6-[[6-cyclopropyl-2-(1-methylcyclopropyl)-1H-indol-3-yl]methyl]-2-pyridinyl]prop-2-ynoic acid
SMILESCC1(c2[nH]c3cc(C4CC4)ccc3c2Cc2cccc(C#CC(=O)O)n2)CC1
InChIInChI=1S/C24H22N2O2/c1-24(11-12-24)23-20(14-18-4-2-3-17(25-18)8-10-22(27)28)19-9-7-16(15-5-6-15)13-21(19)26-23/h2-4,7,9,13,15,26H,5-6,11-12,14H2,1H3,(H,27,28)
InChIKeyMZVGKCCKZGAXGW-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.52
Rot. Bonds4

About 3-[6-[[6-cyclopropyl-2-(1-methylcyclopropyl)-1H-indol-3-yl]methyl]-2-pyridinyl]prop-2-ynoic acid

3-[6-[[6-cyclopropyl-2-(1-methylcyclopropyl)-1H-indol-3-yl]methyl]-2-pyridinyl]prop-2-ynoic acid (PubChem CID 72950271) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is 3-[6-[[6-cyclopropyl-2-(1-methylcyclopropyl)-1H-indol-3-yl]methyl]-2-pyridinyl]prop-2-ynoic acid.

Molecular Properties

Compound Name3-[6-[[6-cyclopropyl-2-(1-methylcyclopropyl)-1H-indol-3-yl]methyl]-2-pyridinyl]prop-2-ynoic acid
PubChem CID72950271
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Name3-[6-[[6-cyclopropyl-2-(1-methylcyclopropyl)-1H-indol-3-yl]methyl]-2-pyridinyl]prop-2-ynoic acid
SMILESCC1(c2[nH]c3cc(C4CC4)ccc3c2Cc2cccc(C#CC(=O)O)n2)CC1
InChIInChI=1S/C24H22N2O2/c1-24(11-12-24)23-20(14-18-4-2-3-17(25-18)8-10-22(27)28)19-9-7-16(15-5-6-15)13-21(19)26-23/h2-4,7,9,13,15,26H,5-6,11-12,14H2,1H3,(H,27,28)
InChIKeyMZVGKCCKZGAXGW-UHFFFAOYSA-N
XLogP4.52
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-[6-[[6-cyclopropyl-2-(1-methylcyclopropyl)-1H-indol-3-yl]methyl]-2-pyridinyl]prop-2-ynoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[6-[[6-cyclopropyl-2-(1-methylcyclopropyl)-1H-indol-3-yl]methyl]-2-pyridinyl]prop-2-ynoic acid?
The IUPAC name of 3-[6-[[6-cyclopropyl-2-(1-methylcyclopropyl)-1H-indol-3-yl]methyl]-2-pyridinyl]prop-2-ynoic acid (CID 72950271) is 3-[6-[[6-cyclopropyl-2-(1-methylcyclopropyl)-1H-indol-3-yl]methyl]-2-pyridinyl]prop-2-ynoic acid.
What is the SMILES notation for 3-[6-[[6-cyclopropyl-2-(1-methylcyclopropyl)-1H-indol-3-yl]methyl]-2-pyridinyl]prop-2-ynoic acid?
The canonical SMILES for 3-[6-[[6-cyclopropyl-2-(1-methylcyclopropyl)-1H-indol-3-yl]methyl]-2-pyridinyl]prop-2-ynoic acid is CC1(c2[nH]c3cc(C4CC4)ccc3c2Cc2cccc(C#CC(=O)O)n2)CC1.
What is the InChIKey of 3-[6-[[6-cyclopropyl-2-(1-methylcyclopropyl)-1H-indol-3-yl]methyl]-2-pyridinyl]prop-2-ynoic acid?
The InChIKey is MZVGKCCKZGAXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-24(11-12-24)23-20(14-18-4-2-3-17(25-18)8-10-22(27)28)19-9-7-16(15-5-6-15)13-21(19)26-23/h2-4,7,9,13,15,26H,5-6,11-12,14H2,1H3,(H,27,28).
What are the key properties of 3-[6-[[6-cyclopropyl-2-(1-methylcyclopropyl)-1H-indol-3-yl]methyl]-2-pyridinyl]prop-2-ynoic acid?
3-[6-[[6-cyclopropyl-2-(1-methylcyclopropyl)-1H-indol-3-yl]methyl]-2-pyridinyl]prop-2-ynoic acid has a molecular weight of 370.45 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[[6-cyclopropyl-2-(1-methylcyclopropyl)-1H-indol-3-yl]methyl]-2-pyridinyl]prop-2-ynoic acid is sourced from PubChem (CID 72950271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).