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

C25H24N6 — CID 164586702

IUPAC(5S)-5-[[1-(1-methylpyrazol-4-yl)indazol-6-yl]amino]-1-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
SMILESC=C(C)c1c(C#N)ccc2c1CCC[C@@H]2Nc1ccc2cnn(-c3cnn(C)c3)c2c1
InChIInChI=1S/C25H24N6/c1-16(2)25-17(12-26)8-10-21-22(25)5-4-6-23(21)29-19-9-7-18-13-28-31(24(18)11-19)20-14-27-30(3)15-20/h7-11,13-15,23,29H,1,4-6H2,2-3H3/t23-/m0/s1
InChIKeyJKMUGODRQTUOQW-QHCPKHFHSA-N
MW408.51 g/mol
LogP5.15
Rot. Bonds4

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

(5S)-5-[[1-(1-methylpyrazol-4-yl)indazol-6-yl]amino]-1-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile (PubChem CID 164586702) has the molecular formula C25H24N6 and a molecular weight of 408.51 g/mol. Its IUPAC name is (5S)-5-[[1-(1-methylpyrazol-4-yl)indazol-6-yl]amino]-1-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile.

Molecular Properties

Compound Name(5S)-5-[[1-(1-methylpyrazol-4-yl)indazol-6-yl]amino]-1-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
PubChem CID164586702
Molecular FormulaC25H24N6
Molecular Weight408.51 g/mol
Exact Mass408.21
IUPAC Name(5S)-5-[[1-(1-methylpyrazol-4-yl)indazol-6-yl]amino]-1-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
SMILESC=C(C)c1c(C#N)ccc2c1CCC[C@@H]2Nc1ccc2cnn(-c3cnn(C)c3)c2c1
InChIInChI=1S/C25H24N6/c1-16(2)25-17(12-26)8-10-21-22(25)5-4-6-23(21)29-19-9-7-18-13-28-31(24(18)11-19)20-14-27-30(3)15-20/h7-11,13-15,23,29H,1,4-6H2,2-3H3/t23-/m0/s1
InChIKeyJKMUGODRQTUOQW-QHCPKHFHSA-N
XLogP5.15
TPSA71.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.51
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methoxy-5-[[1-(1-methylpyrazol-4-yl)indazol-6-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 164587440
(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
(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
6-cyano-2-methyl-N-[1-(1-methylpyrazol-4-yl)indazol-6-yl]pyridine-3-carboxamide
CID 164587354
5-[1-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 164586983
5-[4-methanimidoyl-3-[(1-methylpyrazol-4-yl)amino]anilino]-1-methyl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile;molecular hydrogen
CID 164587020
2-chloro-5-cyano-N-[1-(1-methylpyrazol-4-yl)indazol-6-yl]pyridine-3-carboxamide
CID 164587264
N-[1-(1-methylpyrazol-4-yl)indazol-6-yl]-2-propan-2-ylbenzamide
CID 175755919

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[[1-(1-methylpyrazol-4-yl)indazol-6-yl]amino]-1-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The IUPAC name of (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) is (5S)-5-[[1-(1-methylpyrazol-4-yl)indazol-6-yl]amino]-1-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile.
What is the SMILES notation for (5S)-5-[[1-(1-methylpyrazol-4-yl)indazol-6-yl]amino]-1-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The canonical SMILES for (5S)-5-[[1-(1-methylpyrazol-4-yl)indazol-6-yl]amino]-1-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile is C=C(C)c1c(C#N)ccc2c1CCC[C@@H]2Nc1ccc2cnn(-c3cnn(C)c3)c2c1.
What is the InChIKey of (5S)-5-[[1-(1-methylpyrazol-4-yl)indazol-6-yl]amino]-1-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The InChIKey is JKMUGODRQTUOQW-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H24N6/c1-16(2)25-17(12-26)8-10-21-22(25)5-4-6-23(21)29-19-9-7-18-13-28-31(24(18)11-19)20-14-27-30(3)15-20/h7-11,13-15,23,29H,1,4-6H2,2-3H3/t23-/m0/s1.
What are the key properties of (5S)-5-[[1-(1-methylpyrazol-4-yl)indazol-6-yl]amino]-1-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
(5S)-5-[[1-(1-methylpyrazol-4-yl)indazol-6-yl]amino]-1-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile has a molecular weight of 408.51 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[[1-(1-methylpyrazol-4-yl)indazol-6-yl]amino]-1-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile is sourced from PubChem (CID 164586702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).