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

C24H22N6 — CID 164587411

IUPAC(5S)-5-[[1-(1-cyclopropylpyrazol-4-yl)indazol-6-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
SMILESN#Cc1ccc2c(c1)CCC[C@@H]2Nc1ccc2cnn(-c3cnn(C4CC4)c3)c2c1
InChIInChI=1S/C24H22N6/c25-12-16-4-9-22-17(10-16)2-1-3-23(22)28-19-6-5-18-13-27-30(24(18)11-19)21-14-26-29(15-21)20-7-8-20/h4-6,9-11,13-15,20,23,28H,1-3,7-8H2/t23-/m0/s1
InChIKeyVOPHXXXQDNCUQF-QHCPKHFHSA-N
MW394.48 g/mol
LogP4.92
Rot. Bonds4

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

(5S)-5-[[1-(1-cyclopropylpyrazol-4-yl)indazol-6-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile (PubChem CID 164587411) has the molecular formula C24H22N6 and a molecular weight of 394.48 g/mol. Its IUPAC name is (5S)-5-[[1-(1-cyclopropylpyrazol-4-yl)indazol-6-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile.

Molecular Properties

Compound Name(5S)-5-[[1-(1-cyclopropylpyrazol-4-yl)indazol-6-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
PubChem CID164587411
Molecular FormulaC24H22N6
Molecular Weight394.48 g/mol
Exact Mass394.19
IUPAC Name(5S)-5-[[1-(1-cyclopropylpyrazol-4-yl)indazol-6-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
SMILESN#Cc1ccc2c(c1)CCC[C@@H]2Nc1ccc2cnn(-c3cnn(C4CC4)c3)c2c1
InChIInChI=1S/C24H22N6/c25-12-16-4-9-22-17(10-16)2-1-3-23(22)28-19-6-5-18-13-27-30(24(18)11-19)21-14-26-29(15-21)20-7-8-20/h4-6,9-11,13-15,20,23,28H,1-3,7-8H2/t23-/m0/s1
InChIKeyVOPHXXXQDNCUQF-QHCPKHFHSA-N
XLogP4.92
TPSA71.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5S)-5-[[1-(1-cyclopropylpyrazol-4-yl)indazol-6-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[[1-(1-cyclopropylpyrazol-4-yl)indazol-6-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The IUPAC name of (5S)-5-[[1-(1-cyclopropylpyrazol-4-yl)indazol-6-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile (CID 164587411) is (5S)-5-[[1-(1-cyclopropylpyrazol-4-yl)indazol-6-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile.
What is the SMILES notation for (5S)-5-[[1-(1-cyclopropylpyrazol-4-yl)indazol-6-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The canonical SMILES for (5S)-5-[[1-(1-cyclopropylpyrazol-4-yl)indazol-6-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile is N#Cc1ccc2c(c1)CCC[C@@H]2Nc1ccc2cnn(-c3cnn(C4CC4)c3)c2c1.
What is the InChIKey of (5S)-5-[[1-(1-cyclopropylpyrazol-4-yl)indazol-6-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The InChIKey is VOPHXXXQDNCUQF-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H22N6/c25-12-16-4-9-22-17(10-16)2-1-3-23(22)28-19-6-5-18-13-27-30(24(18)11-19)21-14-26-29(15-21)20-7-8-20/h4-6,9-11,13-15,20,23,28H,1-3,7-8H2/t23-/m0/s1.
What are the key properties of (5S)-5-[[1-(1-cyclopropylpyrazol-4-yl)indazol-6-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
(5S)-5-[[1-(1-cyclopropylpyrazol-4-yl)indazol-6-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile has a molecular weight of 394.48 g/mol, XLogP of 4.92, 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-cyclopropylpyrazol-4-yl)indazol-6-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile is sourced from PubChem (CID 164587411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).