5-[[5-[4-(3-fluoro-1-propan-2-ylpiperidin-4-yl)-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile

C23H26FN7O — CID 118294629

IUPAC5-[[5-[4-(3-fluoro-1-propan-2-ylpiperidin-4-yl)-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
SMILESCOc1cc(C2CCN(C(C)C)CC2F)ccc1-c1cc(Nc2cnc(C#N)cn2)n[nH]1
InChIInChI=1S/C23H26FN7O/c1-14(2)31-7-6-17(19(24)13-31)15-4-5-18(21(8-15)32-3)20-9-22(30-29-20)28-23-12-26-16(10-25)11-27-23/h4-5,8-9,11-12,14,17,19H,6-7,13H2,1-3H3,(H2,27,28,29,30)
InChIKeyGUQNOKTYLAWSGQ-UHFFFAOYSA-N
MW435.51 g/mol
LogP4.03
Rot. Bonds6

About 5-[[5-[4-(3-fluoro-1-propan-2-ylpiperidin-4-yl)-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile

5-[[5-[4-(3-fluoro-1-propan-2-ylpiperidin-4-yl)-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile (PubChem CID 118294629) has the molecular formula C23H26FN7O and a molecular weight of 435.51 g/mol. Its IUPAC name is 5-[[5-[4-(3-fluoro-1-propan-2-ylpiperidin-4-yl)-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[5-[4-(3-fluoro-1-propan-2-ylpiperidin-4-yl)-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
PubChem CID118294629
Molecular FormulaC23H26FN7O
Molecular Weight435.51 g/mol
Exact Mass435.22
IUPAC Name5-[[5-[4-(3-fluoro-1-propan-2-ylpiperidin-4-yl)-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
SMILESCOc1cc(C2CCN(C(C)C)CC2F)ccc1-c1cc(Nc2cnc(C#N)cn2)n[nH]1
InChIInChI=1S/C23H26FN7O/c1-14(2)31-7-6-17(19(24)13-31)15-4-5-18(21(8-15)32-3)20-9-22(30-29-20)28-23-12-26-16(10-25)11-27-23/h4-5,8-9,11-12,14,17,19H,6-7,13H2,1-3H3,(H2,27,28,29,30)
InChIKeyGUQNOKTYLAWSGQ-UHFFFAOYSA-N
XLogP4.03
TPSA102.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[[5-[4-(3-fluoro-1-propan-2-ylpiperidin-4-yl)-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-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 5-[[5-[4-(3-fluoro-1-propan-2-ylpiperidin-4-yl)-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[5-[4-(3-fluoro-1-propan-2-ylpiperidin-4-yl)-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile (CID 118294629) is 5-[[5-[4-(3-fluoro-1-propan-2-ylpiperidin-4-yl)-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[5-[4-(3-fluoro-1-propan-2-ylpiperidin-4-yl)-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[5-[4-(3-fluoro-1-propan-2-ylpiperidin-4-yl)-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile is COc1cc(C2CCN(C(C)C)CC2F)ccc1-c1cc(Nc2cnc(C#N)cn2)n[nH]1.
What is the InChIKey of 5-[[5-[4-(3-fluoro-1-propan-2-ylpiperidin-4-yl)-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?
The InChIKey is GUQNOKTYLAWSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN7O/c1-14(2)31-7-6-17(19(24)13-31)15-4-5-18(21(8-15)32-3)20-9-22(30-29-20)28-23-12-26-16(10-25)11-27-23/h4-5,8-9,11-12,14,17,19H,6-7,13H2,1-3H3,(H2,27,28,29,30).
What are the key properties of 5-[[5-[4-(3-fluoro-1-propan-2-ylpiperidin-4-yl)-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?
5-[[5-[4-(3-fluoro-1-propan-2-ylpiperidin-4-yl)-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 435.51 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-[4-(3-fluoro-1-propan-2-ylpiperidin-4-yl)-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 118294629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).