1-(oxan-2-yl)-3-[6-(pyrrolidine-1-carbonyl)naphthalen-2-yl]indazole-5-carbonitrile

C28H26N4O2 — CID 68908077

IUPAC1-(oxan-2-yl)-3-[6-(pyrrolidine-1-carbonyl)naphthalen-2-yl]indazole-5-carbonitrile
SMILESN#Cc1ccc2c(c1)c(-c1ccc3cc(C(=O)N4CCCC4)ccc3c1)nn2C1CCCCO1
InChIInChI=1S/C28H26N4O2/c29-18-19-6-11-25-24(15-19)27(30-32(25)26-5-1-4-14-34-26)22-9-7-21-17-23(10-8-20(21)16-22)28(33)31-12-2-3-13-31/h6-11,15-17,26H,1-5,12-14H2
InChIKeyLYDYKNLGUWCTGM-UHFFFAOYSA-N
MW450.54 g/mol
LogP5.66
Rot. Bonds3

About 1-(oxan-2-yl)-3-[6-(pyrrolidine-1-carbonyl)naphthalen-2-yl]indazole-5-carbonitrile

1-(oxan-2-yl)-3-[6-(pyrrolidine-1-carbonyl)naphthalen-2-yl]indazole-5-carbonitrile (PubChem CID 68908077) has the molecular formula C28H26N4O2 and a molecular weight of 450.54 g/mol. Its IUPAC name is 1-(oxan-2-yl)-3-[6-(pyrrolidine-1-carbonyl)naphthalen-2-yl]indazole-5-carbonitrile.

Molecular Properties

Compound Name1-(oxan-2-yl)-3-[6-(pyrrolidine-1-carbonyl)naphthalen-2-yl]indazole-5-carbonitrile
PubChem CID68908077
Molecular FormulaC28H26N4O2
Molecular Weight450.54 g/mol
Exact Mass450.21
IUPAC Name1-(oxan-2-yl)-3-[6-(pyrrolidine-1-carbonyl)naphthalen-2-yl]indazole-5-carbonitrile
SMILESN#Cc1ccc2c(c1)c(-c1ccc3cc(C(=O)N4CCCC4)ccc3c1)nn2C1CCCCO1
InChIInChI=1S/C28H26N4O2/c29-18-19-6-11-25-24(15-19)27(30-32(25)26-5-1-4-14-34-26)22-9-7-21-17-23(10-8-20(21)16-22)28(33)31-12-2-3-13-31/h6-11,15-17,26H,1-5,12-14H2
InChIKeyLYDYKNLGUWCTGM-UHFFFAOYSA-N
XLogP5.66
TPSA71.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.54
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(oxan-2-yl)-3-[6-(pyrrolidine-1-carbonyl)naphthalen-2-yl]indazole-5-carbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

3-[6-[(1-methylpiperidin-2-yl)methoxy]naphthalen-2-yl]-1-(oxan-2-yl)indazole-5-carbonitrile
CID 68907708
3-(4-chlorophenyl)-1-(oxan-2-yl)indazole-5-carbonitrile
CID 22480117
[3-[6-[(1-ethylpyrrolidin-2-yl)methoxy]naphthalen-2-yl]-1-[(2S)-oxan-2-yl]indazol-5-yl]-pyrrolidin-1-ylmethanone
CID 68903817
3-[4-(2-methylpropoxy)phenyl]-1-(oxan-2-yl)indazole-5-carbonitrile
CID 22480050
3-[6-[(1-methyl-5-oxopyrrolidin-2-yl)methoxy]naphthalen-2-yl]-1-(oxan-2-yl)indazole-5-carbonitrile
CID 68904120
1-(oxan-2-yl)-3-[6-(2-pyridin-2-ylethoxy)naphthalen-2-yl]indazole-5-carbonitrile
CID 68905849
3-[6-[3-(2,6-dimethylpiperidin-1-yl)propoxy]naphthalen-2-yl]-1-(oxan-2-yl)indazole-5-carbonitrile
CID 68906154
1-(oxan-2-yl)-3-pyridin-3-ylindazole-5-carbonitrile
CID 22479759
3-[7-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propoxy]naphthalen-2-yl]-1-(oxan-2-yl)indazole-5-carbonitrile
CID 68909557
2-fluoro-5-[5-hydroxy-1-(oxan-2-yl)indazol-3-yl]benzoic acid
CID 166835900
N-[3-[5-cyano-1-(oxan-2-yl)indazol-3-yl]phenyl]-N-(2,3-dihydro-1H-inden-2-yl)formamide
CID 87828255
3-(4-fluorophenyl)-1-(oxan-2-yl)-5-(2-phenylethynyl)indazole
CID 22480208

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-yl)-3-[6-(pyrrolidine-1-carbonyl)naphthalen-2-yl]indazole-5-carbonitrile?
The IUPAC name of 1-(oxan-2-yl)-3-[6-(pyrrolidine-1-carbonyl)naphthalen-2-yl]indazole-5-carbonitrile (CID 68908077) is 1-(oxan-2-yl)-3-[6-(pyrrolidine-1-carbonyl)naphthalen-2-yl]indazole-5-carbonitrile.
What is the SMILES notation for 1-(oxan-2-yl)-3-[6-(pyrrolidine-1-carbonyl)naphthalen-2-yl]indazole-5-carbonitrile?
The canonical SMILES for 1-(oxan-2-yl)-3-[6-(pyrrolidine-1-carbonyl)naphthalen-2-yl]indazole-5-carbonitrile is N#Cc1ccc2c(c1)c(-c1ccc3cc(C(=O)N4CCCC4)ccc3c1)nn2C1CCCCO1.
What is the InChIKey of 1-(oxan-2-yl)-3-[6-(pyrrolidine-1-carbonyl)naphthalen-2-yl]indazole-5-carbonitrile?
The InChIKey is LYDYKNLGUWCTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O2/c29-18-19-6-11-25-24(15-19)27(30-32(25)26-5-1-4-14-34-26)22-9-7-21-17-23(10-8-20(21)16-22)28(33)31-12-2-3-13-31/h6-11,15-17,26H,1-5,12-14H2.
What are the key properties of 1-(oxan-2-yl)-3-[6-(pyrrolidine-1-carbonyl)naphthalen-2-yl]indazole-5-carbonitrile?
1-(oxan-2-yl)-3-[6-(pyrrolidine-1-carbonyl)naphthalen-2-yl]indazole-5-carbonitrile has a molecular weight of 450.54 g/mol, XLogP of 5.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-yl)-3-[6-(pyrrolidine-1-carbonyl)naphthalen-2-yl]indazole-5-carbonitrile is sourced from PubChem (CID 68908077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).