3-[(4R)-8-methoxy-4-methyl-1-oxo-3,4-dihydro-2H-isoquinolin-6-yl]-2-methyl-6-(1-propylpyrazol-4-yl)indazole-4-carbonitrile

C26H26N6O2 — CID 172606054

IUPAC3-[(4R)-8-methoxy-4-methyl-1-oxo-3,4-dihydro-2H-isoquinolin-6-yl]-2-methyl-6-(1-propylpyrazol-4-yl)indazole-4-carbonitrile
SMILESCCCn1cc(-c2cc(C#N)c3c(-c4cc(OC)c5c(c4)[C@@H](C)CNC5=O)n(C)nc3c2)cn1
InChIInChI=1S/C26H26N6O2/c1-5-6-32-14-19(13-29-32)16-7-18(11-27)23-21(9-16)30-31(3)25(23)17-8-20-15(2)12-28-26(33)24(20)22(10-17)34-4/h7-10,13-15H,5-6,12H2,1-4H3,(H,28,33)/t15-/m0/s1
InChIKeyXKYOLJNQBFQQKD-HNNXBMFYSA-N
MW454.53 g/mol
LogP4.24
Rot. Bonds5

About 3-[(4R)-8-methoxy-4-methyl-1-oxo-3,4-dihydro-2H-isoquinolin-6-yl]-2-methyl-6-(1-propylpyrazol-4-yl)indazole-4-carbonitrile

3-[(4R)-8-methoxy-4-methyl-1-oxo-3,4-dihydro-2H-isoquinolin-6-yl]-2-methyl-6-(1-propylpyrazol-4-yl)indazole-4-carbonitrile (PubChem CID 172606054) has the molecular formula C26H26N6O2 and a molecular weight of 454.53 g/mol. Its IUPAC name is 3-[(4R)-8-methoxy-4-methyl-1-oxo-3,4-dihydro-2H-isoquinolin-6-yl]-2-methyl-6-(1-propylpyrazol-4-yl)indazole-4-carbonitrile.

Molecular Properties

Compound Name3-[(4R)-8-methoxy-4-methyl-1-oxo-3,4-dihydro-2H-isoquinolin-6-yl]-2-methyl-6-(1-propylpyrazol-4-yl)indazole-4-carbonitrile
PubChem CID172606054
Molecular FormulaC26H26N6O2
Molecular Weight454.53 g/mol
Exact Mass454.21
IUPAC Name3-[(4R)-8-methoxy-4-methyl-1-oxo-3,4-dihydro-2H-isoquinolin-6-yl]-2-methyl-6-(1-propylpyrazol-4-yl)indazole-4-carbonitrile
SMILESCCCn1cc(-c2cc(C#N)c3c(-c4cc(OC)c5c(c4)[C@@H](C)CNC5=O)n(C)nc3c2)cn1
InChIInChI=1S/C26H26N6O2/c1-5-6-32-14-19(13-29-32)16-7-18(11-27)23-21(9-16)30-31(3)25(23)17-8-20-15(2)12-28-26(33)24(20)22(10-17)34-4/h7-10,13-15H,5-6,12H2,1-4H3,(H,28,33)/t15-/m0/s1
InChIKeyXKYOLJNQBFQQKD-HNNXBMFYSA-N
XLogP4.24
TPSA97.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[(4R)-8-methoxy-4-methyl-1-oxo-3,4-dihydro-2H-isoquinolin-6-yl]-2-methyl-6-(1-propylpyrazol-4-yl)indazole-4-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-[(4R)-8-(difluoromethoxy)-4-methyl-1-oxo-3,4-dihydro-2H-isoquinolin-6-yl]-2-methyl-6-(1-methylpyrazol-4-yl)indazole-4-carbonitrile
CID 172606090
4-[4-cyano-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-2-methylindazol-3-yl]-N-[(1R)-2,2-difluorocyclopropyl]-2-(difluoromethoxy)-6-methoxybenzamide
CID 172605959
4-[4-cyano-2-methyl-6-[1-(oxetan-2-ylmethyl)pyrazol-4-yl]indazol-3-yl]-2-(difluoromethoxy)-N-[(1-fluorocyclopropyl)methyl]-6-methoxybenzamide
CID 172606104
4-[4-cyano-6-[1-[(1,1-dioxothietan-2-yl)methyl]pyrazol-4-yl]-2-methylindazol-3-yl]-2-(difluoromethoxy)-N-[(1-fluorocyclopropyl)methyl]-6-methoxybenzamide
CID 172606192
4-[4-cyano-2-methyl-6-(1H-pyrazol-4-yl)indazol-3-yl]-N-[(1R)-2,2-difluorocyclopropyl]-2-(difluoromethoxy)-6-methoxybenzamide
CID 172605988
4-[(1R)-1-[3-fluoro-2-methyl-6-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]indazol-4-yl]oxyethyl]pyrrolidin-2-one
CID 126664270
4-[1-[6-[1-(cyclopropylmethyl)pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]pyrrolidin-2-one
CID 139324909
(4R)-4-[(1R)-1-[6-[1-(cyclopropylmethyl)pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]pyrrolidin-2-one
CID 126681033
2-[4-[3-[3-(difluoromethoxy)-4-[3-hydroxy-3-(trifluoromethyl)azetidine-1-carbonyl]-5-methoxyphenyl]-4-(difluoromethyl)-2-methylindazol-6-yl]pyrazol-1-yl]-N,N-dimethylacetamide
CID 172606118
(4R)-4-[(1R)-1-[2-methyl-6-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]indazol-4-yl]oxyethyl]pyrrolidin-2-one
CID 118386415
2,6-dimethyl-4-(1-propylpyrazol-4-yl)pyridine;ethane
CID 145062525
4-methyl-2-(1-propylpyrazol-4-yl)benzonitrile
CID 172915447

Frequently Asked Questions

What is the IUPAC name of 3-[(4R)-8-methoxy-4-methyl-1-oxo-3,4-dihydro-2H-isoquinolin-6-yl]-2-methyl-6-(1-propylpyrazol-4-yl)indazole-4-carbonitrile?
The IUPAC name of 3-[(4R)-8-methoxy-4-methyl-1-oxo-3,4-dihydro-2H-isoquinolin-6-yl]-2-methyl-6-(1-propylpyrazol-4-yl)indazole-4-carbonitrile (CID 172606054) is 3-[(4R)-8-methoxy-4-methyl-1-oxo-3,4-dihydro-2H-isoquinolin-6-yl]-2-methyl-6-(1-propylpyrazol-4-yl)indazole-4-carbonitrile.
What is the SMILES notation for 3-[(4R)-8-methoxy-4-methyl-1-oxo-3,4-dihydro-2H-isoquinolin-6-yl]-2-methyl-6-(1-propylpyrazol-4-yl)indazole-4-carbonitrile?
The canonical SMILES for 3-[(4R)-8-methoxy-4-methyl-1-oxo-3,4-dihydro-2H-isoquinolin-6-yl]-2-methyl-6-(1-propylpyrazol-4-yl)indazole-4-carbonitrile is CCCn1cc(-c2cc(C#N)c3c(-c4cc(OC)c5c(c4)[C@@H](C)CNC5=O)n(C)nc3c2)cn1.
What is the InChIKey of 3-[(4R)-8-methoxy-4-methyl-1-oxo-3,4-dihydro-2H-isoquinolin-6-yl]-2-methyl-6-(1-propylpyrazol-4-yl)indazole-4-carbonitrile?
The InChIKey is XKYOLJNQBFQQKD-HNNXBMFYSA-N. The full InChI is InChI=1S/C26H26N6O2/c1-5-6-32-14-19(13-29-32)16-7-18(11-27)23-21(9-16)30-31(3)25(23)17-8-20-15(2)12-28-26(33)24(20)22(10-17)34-4/h7-10,13-15H,5-6,12H2,1-4H3,(H,28,33)/t15-/m0/s1.
What are the key properties of 3-[(4R)-8-methoxy-4-methyl-1-oxo-3,4-dihydro-2H-isoquinolin-6-yl]-2-methyl-6-(1-propylpyrazol-4-yl)indazole-4-carbonitrile?
3-[(4R)-8-methoxy-4-methyl-1-oxo-3,4-dihydro-2H-isoquinolin-6-yl]-2-methyl-6-(1-propylpyrazol-4-yl)indazole-4-carbonitrile has a molecular weight of 454.53 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4R)-8-methoxy-4-methyl-1-oxo-3,4-dihydro-2H-isoquinolin-6-yl]-2-methyl-6-(1-propylpyrazol-4-yl)indazole-4-carbonitrile is sourced from PubChem (CID 172606054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).