2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-7-morpholin-4-ylindazole-6-carbonitrile

C23H23N5O2 — CID 176667468

IUPAC2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-7-morpholin-4-ylindazole-6-carbonitrile
SMILESCOc1cc(C)c2[nH]ccc2c1Cn1cc2ccc(C#N)c(N3CCOCC3)c2n1
InChIInChI=1S/C23H23N5O2/c1-15-11-20(29-2)19(18-5-6-25-21(15)18)14-28-13-17-4-3-16(12-24)23(22(17)26-28)27-7-9-30-10-8-27/h3-6,11,13,25H,7-10,14H2,1-2H3
InChIKeyYOSVNOWFRISIQC-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.59
Rot. Bonds4

About 2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-7-morpholin-4-ylindazole-6-carbonitrile

2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-7-morpholin-4-ylindazole-6-carbonitrile (PubChem CID 176667468) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-7-morpholin-4-ylindazole-6-carbonitrile.

Molecular Properties

Compound Name2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-7-morpholin-4-ylindazole-6-carbonitrile
PubChem CID176667468
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-7-morpholin-4-ylindazole-6-carbonitrile
SMILESCOc1cc(C)c2[nH]ccc2c1Cn1cc2ccc(C#N)c(N3CCOCC3)c2n1
InChIInChI=1S/C23H23N5O2/c1-15-11-20(29-2)19(18-5-6-25-21(15)18)14-28-13-17-4-3-16(12-24)23(22(17)26-28)27-7-9-30-10-8-27/h3-6,11,13,25H,7-10,14H2,1-2H3
InChIKeyYOSVNOWFRISIQC-UHFFFAOYSA-N
XLogP3.59
TPSA79.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-7-morpholin-4-ylindazole-6-carbonitrile?
The IUPAC name of 2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-7-morpholin-4-ylindazole-6-carbonitrile (CID 176667468) is 2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-7-morpholin-4-ylindazole-6-carbonitrile.
What is the SMILES notation for 2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-7-morpholin-4-ylindazole-6-carbonitrile?
The canonical SMILES for 2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-7-morpholin-4-ylindazole-6-carbonitrile is COc1cc(C)c2[nH]ccc2c1Cn1cc2ccc(C#N)c(N3CCOCC3)c2n1.
What is the InChIKey of 2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-7-morpholin-4-ylindazole-6-carbonitrile?
The InChIKey is YOSVNOWFRISIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-15-11-20(29-2)19(18-5-6-25-21(15)18)14-28-13-17-4-3-16(12-24)23(22(17)26-28)27-7-9-30-10-8-27/h3-6,11,13,25H,7-10,14H2,1-2H3.
What are the key properties of 2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-7-morpholin-4-ylindazole-6-carbonitrile?
2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-7-morpholin-4-ylindazole-6-carbonitrile has a molecular weight of 401.47 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-7-morpholin-4-ylindazole-6-carbonitrile is sourced from PubChem (CID 176667468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).