6-(methoxymethoxy)-1-[(4-methoxyphenyl)methyl]-4-(2-methylpyrrolidin-1-yl)indazole-7-carbonitrile

C23H26N4O3 — CID 175429768

IUPAC6-(methoxymethoxy)-1-[(4-methoxyphenyl)methyl]-4-(2-methylpyrrolidin-1-yl)indazole-7-carbonitrile
SMILESCOCOc1cc(N2CCCC2C)c2cnn(Cc3ccc(OC)cc3)c2c1C#N
InChIInChI=1S/C23H26N4O3/c1-16-5-4-10-26(16)21-11-22(30-15-28-2)19(12-24)23-20(21)13-25-27(23)14-17-6-8-18(29-3)9-7-17/h6-9,11,13,16H,4-5,10,14-15H2,1-3H3
InChIKeyUJLGDTHEHGJYPP-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.94
Rot. Bonds7

About 6-(methoxymethoxy)-1-[(4-methoxyphenyl)methyl]-4-(2-methylpyrrolidin-1-yl)indazole-7-carbonitrile

6-(methoxymethoxy)-1-[(4-methoxyphenyl)methyl]-4-(2-methylpyrrolidin-1-yl)indazole-7-carbonitrile (PubChem CID 175429768) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 6-(methoxymethoxy)-1-[(4-methoxyphenyl)methyl]-4-(2-methylpyrrolidin-1-yl)indazole-7-carbonitrile.

Molecular Properties

Compound Name6-(methoxymethoxy)-1-[(4-methoxyphenyl)methyl]-4-(2-methylpyrrolidin-1-yl)indazole-7-carbonitrile
PubChem CID175429768
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name6-(methoxymethoxy)-1-[(4-methoxyphenyl)methyl]-4-(2-methylpyrrolidin-1-yl)indazole-7-carbonitrile
SMILESCOCOc1cc(N2CCCC2C)c2cnn(Cc3ccc(OC)cc3)c2c1C#N
InChIInChI=1S/C23H26N4O3/c1-16-5-4-10-26(16)21-11-22(30-15-28-2)19(12-24)23-20(21)13-25-27(23)14-17-6-8-18(29-3)9-7-17/h6-9,11,13,16H,4-5,10,14-15H2,1-3H3
InChIKeyUJLGDTHEHGJYPP-UHFFFAOYSA-N
XLogP3.94
TPSA72.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-(cyclopenten-1-yl)-6-hydroxy-1-[(4-methoxyphenyl)methyl]indazole-7-carbonitrile
CID 168877288
6-hydroxy-1-[(4-methoxyphenyl)methyl]indazole-7-carbonitrile
CID 168877274
[7-cyano-1-[(4-methoxyphenyl)methyl]indazol-6-yl] trifluoromethanesulfonate
CID 168877216
3-[1-[1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-yl]azetidin-3-yl]oxybenzonitrile
CID 56605422
6-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 51981722
4,6-dichloro-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridine
CID 90391274
5-(chloromethyl)-2-(2-methylpiperidin-1-yl)pyridine
CID 61255734
[(2S)-1-(5-methoxy-2-pyridinyl)pyrrolidin-2-yl]methanol
CID 139294140
(3S,8aR)-2-[[5-methoxy-2-(methoxymethoxy)phenyl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 97159575
2-methoxy-4-[(2S)-2-methylpyrrolidin-1-yl]benzonitrile
CID 70960747
6-bromo-7-methoxy-1-[(4-methoxyphenyl)methyl]indazole
CID 168931973
4-[1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]oxycyclohexane-1-carboxylic acid
CID 118623275

Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethoxy)-1-[(4-methoxyphenyl)methyl]-4-(2-methylpyrrolidin-1-yl)indazole-7-carbonitrile?
The IUPAC name of 6-(methoxymethoxy)-1-[(4-methoxyphenyl)methyl]-4-(2-methylpyrrolidin-1-yl)indazole-7-carbonitrile (CID 175429768) is 6-(methoxymethoxy)-1-[(4-methoxyphenyl)methyl]-4-(2-methylpyrrolidin-1-yl)indazole-7-carbonitrile.
What is the SMILES notation for 6-(methoxymethoxy)-1-[(4-methoxyphenyl)methyl]-4-(2-methylpyrrolidin-1-yl)indazole-7-carbonitrile?
The canonical SMILES for 6-(methoxymethoxy)-1-[(4-methoxyphenyl)methyl]-4-(2-methylpyrrolidin-1-yl)indazole-7-carbonitrile is COCOc1cc(N2CCCC2C)c2cnn(Cc3ccc(OC)cc3)c2c1C#N.
What is the InChIKey of 6-(methoxymethoxy)-1-[(4-methoxyphenyl)methyl]-4-(2-methylpyrrolidin-1-yl)indazole-7-carbonitrile?
The InChIKey is UJLGDTHEHGJYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-16-5-4-10-26(16)21-11-22(30-15-28-2)19(12-24)23-20(21)13-25-27(23)14-17-6-8-18(29-3)9-7-17/h6-9,11,13,16H,4-5,10,14-15H2,1-3H3.
What are the key properties of 6-(methoxymethoxy)-1-[(4-methoxyphenyl)methyl]-4-(2-methylpyrrolidin-1-yl)indazole-7-carbonitrile?
6-(methoxymethoxy)-1-[(4-methoxyphenyl)methyl]-4-(2-methylpyrrolidin-1-yl)indazole-7-carbonitrile has a molecular weight of 406.49 g/mol, XLogP of 3.94, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethoxy)-1-[(4-methoxyphenyl)methyl]-4-(2-methylpyrrolidin-1-yl)indazole-7-carbonitrile is sourced from PubChem (CID 175429768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).