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

C28H23N5O — CID 164587049

IUPAC5-[1-(1-benzylpyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
SMILESN#Cc1ccc2c(c1)CCCC2Oc1ccc2cnn(-c3cnn(Cc4ccccc4)c3)c2c1
InChIInChI=1S/C28H23N5O/c29-15-21-9-12-26-22(13-21)7-4-8-28(26)34-25-11-10-23-16-31-33(27(23)14-25)24-17-30-32(19-24)18-20-5-2-1-3-6-20/h1-3,5-6,9-14,16-17,19,28H,4,7-8,18H2
InChIKeyMBLUVCBCARTXJA-UHFFFAOYSA-N
MW445.53 g/mol
LogP5.60
Rot. Bonds5

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

5-[1-(1-benzylpyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile (PubChem CID 164587049) has the molecular formula C28H23N5O and a molecular weight of 445.53 g/mol. Its IUPAC name is 5-[1-(1-benzylpyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile.

Molecular Properties

Compound Name5-[1-(1-benzylpyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
PubChem CID164587049
Molecular FormulaC28H23N5O
Molecular Weight445.53 g/mol
Exact Mass445.19
IUPAC Name5-[1-(1-benzylpyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
SMILESN#Cc1ccc2c(c1)CCCC2Oc1ccc2cnn(-c3cnn(Cc4ccccc4)c3)c2c1
InChIInChI=1S/C28H23N5O/c29-15-21-9-12-26-22(13-21)7-4-8-28(26)34-25-11-10-23-16-31-33(27(23)14-25)24-17-30-32(19-24)18-20-5-2-1-3-6-20/h1-3,5-6,9-14,16-17,19,28H,4,7-8,18H2
InChIKeyMBLUVCBCARTXJA-UHFFFAOYSA-N
XLogP5.60
TPSA68.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.53
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-(2-cyanopropan-2-yl)pyrazol-4-yl]indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 172846982
5-[1-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 164586983
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
(5S)-5-[[1-(1-cyclopropylpyrazol-4-yl)indazol-6-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 164587411
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
3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzonitrile
CID 102817746
5-[3-[(1-ethylpyrazol-4-yl)amino]-4-methanimidoylphenoxy]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 164587167
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
(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
8-[5-chloro-1-(1-methylpyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 172792472

Frequently Asked Questions

What is the IUPAC name of 5-[1-(1-benzylpyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The IUPAC name of 5-[1-(1-benzylpyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile (CID 164587049) is 5-[1-(1-benzylpyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile.
What is the SMILES notation for 5-[1-(1-benzylpyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The canonical SMILES for 5-[1-(1-benzylpyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile is N#Cc1ccc2c(c1)CCCC2Oc1ccc2cnn(-c3cnn(Cc4ccccc4)c3)c2c1.
What is the InChIKey of 5-[1-(1-benzylpyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The InChIKey is MBLUVCBCARTXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N5O/c29-15-21-9-12-26-22(13-21)7-4-8-28(26)34-25-11-10-23-16-31-33(27(23)14-25)24-17-30-32(19-24)18-20-5-2-1-3-6-20/h1-3,5-6,9-14,16-17,19,28H,4,7-8,18H2.
What are the key properties of 5-[1-(1-benzylpyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
5-[1-(1-benzylpyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile has a molecular weight of 445.53 g/mol, XLogP of 5.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1-benzylpyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile is sourced from PubChem (CID 164587049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).