5-[1-[1-(2-cyanopropan-2-yl)pyrazol-4-yl]indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile

C25H22N6O — CID 172846982

IUPAC5-[1-[1-(2-cyanopropan-2-yl)pyrazol-4-yl]indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
SMILESCC(C)(C#N)n1cc(-n2ncc3ccc(OC4CCCc5cc(C#N)ccc54)cc32)cn1
InChIInChI=1S/C25H22N6O/c1-25(2,16-27)30-15-20(14-28-30)31-23-11-21(8-7-19(23)13-29-31)32-24-5-3-4-18-10-17(12-26)6-9-22(18)24/h6-11,13-15,24H,3-5H2,1-2H3
InChIKeyXOBSKQYSJTUKQS-UHFFFAOYSA-N
MW422.49 g/mol
LogP4.81
Rot. Bonds4

About 5-[1-[1-(2-cyanopropan-2-yl)pyrazol-4-yl]indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile

5-[1-[1-(2-cyanopropan-2-yl)pyrazol-4-yl]indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile (PubChem CID 172846982) has the molecular formula C25H22N6O and a molecular weight of 422.49 g/mol. Its IUPAC name is 5-[1-[1-(2-cyanopropan-2-yl)pyrazol-4-yl]indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile.

Molecular Properties

Compound Name5-[1-[1-(2-cyanopropan-2-yl)pyrazol-4-yl]indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
PubChem CID172846982
Molecular FormulaC25H22N6O
Molecular Weight422.49 g/mol
Exact Mass422.19
IUPAC Name5-[1-[1-(2-cyanopropan-2-yl)pyrazol-4-yl]indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
SMILESCC(C)(C#N)n1cc(-n2ncc3ccc(OC4CCCc5cc(C#N)ccc54)cc32)cn1
InChIInChI=1S/C25H22N6O/c1-25(2,16-27)30-15-20(14-28-30)31-23-11-21(8-7-19(23)13-29-31)32-24-5-3-4-18-10-17(12-26)6-9-22(18)24/h6-11,13-15,24H,3-5H2,1-2H3
InChIKeyXOBSKQYSJTUKQS-UHFFFAOYSA-N
XLogP4.81
TPSA92.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[1-[1-(oxetan-3-yl)pyrazol-4-yl]indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 164586956
5-[1-(1-benzylpyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 164587049
5-[1-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 164586983
1-[1-[6-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]pyrimidin-4-yl]indazol-6-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrile
CID 164587087
1-[1-[6-[(3S)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]pyrimidin-4-yl]indazol-6-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrile
CID 164587041
5-[5-methyl-1-(1H-pyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile;(5S)-5-[5-methyl-1-(1H-pyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 164587301
(1S)-N-[4-[6-[[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]oxy]indazol-1-yl]-6-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-3-pyridinyl]-1-[1-[2-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-4-pyridinyl]indazol-6-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrilium
CID 164587352
(5S)-5-[[1-(1-cyclopropylpyrazol-4-yl)indazol-6-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 164587411
8-[1-[6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]indazol-6-yl]oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 172790159
(5S)-1-fluoro-5-[5-methyl-1-(1-methylpyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 164586904
8-[5-chloro-1-(1-methylpyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 172792472
5-[5-methyl-1-(1-methylpyrazol-4-yl)indazol-6-yl]oxy-1-methylsulfonyl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 172712891

Frequently Asked Questions

What is the IUPAC name of 5-[1-[1-(2-cyanopropan-2-yl)pyrazol-4-yl]indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The IUPAC name of 5-[1-[1-(2-cyanopropan-2-yl)pyrazol-4-yl]indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile (CID 172846982) is 5-[1-[1-(2-cyanopropan-2-yl)pyrazol-4-yl]indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile.
What is the SMILES notation for 5-[1-[1-(2-cyanopropan-2-yl)pyrazol-4-yl]indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The canonical SMILES for 5-[1-[1-(2-cyanopropan-2-yl)pyrazol-4-yl]indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile is CC(C)(C#N)n1cc(-n2ncc3ccc(OC4CCCc5cc(C#N)ccc54)cc32)cn1.
What is the InChIKey of 5-[1-[1-(2-cyanopropan-2-yl)pyrazol-4-yl]indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The InChIKey is XOBSKQYSJTUKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O/c1-25(2,16-27)30-15-20(14-28-30)31-23-11-21(8-7-19(23)13-29-31)32-24-5-3-4-18-10-17(12-26)6-9-22(18)24/h6-11,13-15,24H,3-5H2,1-2H3.
What are the key properties of 5-[1-[1-(2-cyanopropan-2-yl)pyrazol-4-yl]indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
5-[1-[1-(2-cyanopropan-2-yl)pyrazol-4-yl]indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile has a molecular weight of 422.49 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[1-(2-cyanopropan-2-yl)pyrazol-4-yl]indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile is sourced from PubChem (CID 172846982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).