1-(2-cyclopropyl-7-methoxyindazol-4-yl)indole-5-carbonitrile

C20H16N4O — CID 175435818

IUPAC1-(2-cyclopropyl-7-methoxyindazol-4-yl)indole-5-carbonitrile
SMILESCOc1ccc(-n2ccc3cc(C#N)ccc32)c2cn(C3CC3)nc12
InChIInChI=1S/C20H16N4O/c1-25-19-7-6-18(16-12-24(15-3-4-15)22-20(16)19)23-9-8-14-10-13(11-21)2-5-17(14)23/h2,5-10,12,15H,3-4H2,1H3
InChIKeyOZUIAWITPCBGFT-UHFFFAOYSA-N
MW328.38 g/mol
LogP4.20
Rot. Bonds3

About 1-(2-cyclopropyl-7-methoxyindazol-4-yl)indole-5-carbonitrile

1-(2-cyclopropyl-7-methoxyindazol-4-yl)indole-5-carbonitrile (PubChem CID 175435818) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is 1-(2-cyclopropyl-7-methoxyindazol-4-yl)indole-5-carbonitrile.

Molecular Properties

Compound Name1-(2-cyclopropyl-7-methoxyindazol-4-yl)indole-5-carbonitrile
PubChem CID175435818
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC Name1-(2-cyclopropyl-7-methoxyindazol-4-yl)indole-5-carbonitrile
SMILESCOc1ccc(-n2ccc3cc(C#N)ccc32)c2cn(C3CC3)nc12
InChIInChI=1S/C20H16N4O/c1-25-19-7-6-18(16-12-24(15-3-4-15)22-20(16)19)23-9-8-14-10-13(11-21)2-5-17(14)23/h2,5-10,12,15H,3-4H2,1H3
InChIKeyOZUIAWITPCBGFT-UHFFFAOYSA-N
XLogP4.20
TPSA55.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-7-methoxyindazol-4-yl)indole-5-carbonitrile?
The IUPAC name of 1-(2-cyclopropyl-7-methoxyindazol-4-yl)indole-5-carbonitrile (CID 175435818) is 1-(2-cyclopropyl-7-methoxyindazol-4-yl)indole-5-carbonitrile.
What is the SMILES notation for 1-(2-cyclopropyl-7-methoxyindazol-4-yl)indole-5-carbonitrile?
The canonical SMILES for 1-(2-cyclopropyl-7-methoxyindazol-4-yl)indole-5-carbonitrile is COc1ccc(-n2ccc3cc(C#N)ccc32)c2cn(C3CC3)nc12.
What is the InChIKey of 1-(2-cyclopropyl-7-methoxyindazol-4-yl)indole-5-carbonitrile?
The InChIKey is OZUIAWITPCBGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O/c1-25-19-7-6-18(16-12-24(15-3-4-15)22-20(16)19)23-9-8-14-10-13(11-21)2-5-17(14)23/h2,5-10,12,15H,3-4H2,1H3.
What are the key properties of 1-(2-cyclopropyl-7-methoxyindazol-4-yl)indole-5-carbonitrile?
1-(2-cyclopropyl-7-methoxyindazol-4-yl)indole-5-carbonitrile has a molecular weight of 328.38 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-7-methoxyindazol-4-yl)indole-5-carbonitrile is sourced from PubChem (CID 175435818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).