1-methoxy-5-[[1-(1-methylpyrazol-4-yl)indazol-6-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile

C23H22N6O — CID 164587440

IUPAC1-methoxy-5-[[1-(1-methylpyrazol-4-yl)indazol-6-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
SMILESCOc1c(C#N)ccc2c1CCCC2Nc1ccc2cnn(-c3cnn(C)c3)c2c1
InChIInChI=1S/C23H22N6O/c1-28-14-18(13-25-28)29-22-10-17(8-6-16(22)12-26-29)27-21-5-3-4-20-19(21)9-7-15(11-24)23(20)30-2/h6-10,12-14,21,27H,3-5H2,1-2H3
InChIKeyCOPREQOQXOCLCZ-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.13
Rot. Bonds4

About 1-methoxy-5-[[1-(1-methylpyrazol-4-yl)indazol-6-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile

1-methoxy-5-[[1-(1-methylpyrazol-4-yl)indazol-6-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile (PubChem CID 164587440) has the molecular formula C23H22N6O and a molecular weight of 398.47 g/mol. Its IUPAC name is 1-methoxy-5-[[1-(1-methylpyrazol-4-yl)indazol-6-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile.

Molecular Properties

Compound Name1-methoxy-5-[[1-(1-methylpyrazol-4-yl)indazol-6-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
PubChem CID164587440
Molecular FormulaC23H22N6O
Molecular Weight398.47 g/mol
Exact Mass398.19
IUPAC Name1-methoxy-5-[[1-(1-methylpyrazol-4-yl)indazol-6-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
SMILESCOc1c(C#N)ccc2c1CCCC2Nc1ccc2cnn(-c3cnn(C)c3)c2c1
InChIInChI=1S/C23H22N6O/c1-28-14-18(13-25-28)29-22-10-17(8-6-16(22)12-26-29)27-21-5-3-4-20-19(21)9-7-15(11-24)23(20)30-2/h6-10,12-14,21,27H,3-5H2,1-2H3
InChIKeyCOPREQOQXOCLCZ-UHFFFAOYSA-N
XLogP4.13
TPSA80.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(5S)-5-[[1-(1-methylpyrazol-4-yl)indazol-6-yl]amino]-1-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 164586702
(5S)-5-[4-methanimidoyl-3-[(1-methylpyrazol-4-yl)amino]anilino]-1-methyl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile;(5R)-1-methyl-5-[[1-(1-methylpyrazol-4-yl)indazol-6-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile;molecular hydrogen
CID 164586997
(5S)-5-[[1-(1-cyclopropylpyrazol-4-yl)indazol-6-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 164587411
3-cyano-2,6-dimethyl-N-[1-(1-methylpyrazol-4-yl)indazol-6-yl]benzamide
CID 164587242
(5R)-5-[[1-[6-[(3S)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]pyrimidin-4-yl]indazol-6-yl]amino]-5,6,7,8-tetrahydronaphthalene-1-carbonitrile
CID 164587108
(8R)-4-methoxy-8-[5-methyl-1-(1-methylpyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 164587504
(5S)-1-fluoro-5-[5-methyl-1-(1-methylpyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 164586904
5-[5-methyl-1-(1-methylpyrazol-4-yl)indazol-6-yl]oxy-1-methylsulfonyl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 172712891
5-[4-methanimidoyl-3-[(1-methylpyrazol-4-yl)amino]anilino]-1-methyl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile;molecular hydrogen
CID 164587020
5-[1-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 164586983
(5S)-1-fluoro-5-[4-methanimidoyl-2-methyl-5-[(1-methylpyrazol-4-yl)amino]phenoxy]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile;(5R)-1-fluoro-5-[5-methyl-1-(1-methylpyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 164587075
6-cyano-2-methyl-N-[1-(1-methylpyrazol-4-yl)indazol-6-yl]pyridine-3-carboxamide
CID 164587354

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-5-[[1-(1-methylpyrazol-4-yl)indazol-6-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The IUPAC name of 1-methoxy-5-[[1-(1-methylpyrazol-4-yl)indazol-6-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile (CID 164587440) is 1-methoxy-5-[[1-(1-methylpyrazol-4-yl)indazol-6-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile.
What is the SMILES notation for 1-methoxy-5-[[1-(1-methylpyrazol-4-yl)indazol-6-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The canonical SMILES for 1-methoxy-5-[[1-(1-methylpyrazol-4-yl)indazol-6-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile is COc1c(C#N)ccc2c1CCCC2Nc1ccc2cnn(-c3cnn(C)c3)c2c1.
What is the InChIKey of 1-methoxy-5-[[1-(1-methylpyrazol-4-yl)indazol-6-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The InChIKey is COPREQOQXOCLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O/c1-28-14-18(13-25-28)29-22-10-17(8-6-16(22)12-26-29)27-21-5-3-4-20-19(21)9-7-15(11-24)23(20)30-2/h6-10,12-14,21,27H,3-5H2,1-2H3.
What are the key properties of 1-methoxy-5-[[1-(1-methylpyrazol-4-yl)indazol-6-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
1-methoxy-5-[[1-(1-methylpyrazol-4-yl)indazol-6-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile has a molecular weight of 398.47 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-5-[[1-(1-methylpyrazol-4-yl)indazol-6-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile is sourced from PubChem (CID 164587440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).