4-[6-[4-[2-(dimethylamino)-2-(4-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

C31H30FN9O — CID 126740358

IUPAC4-[6-[4-[2-(dimethylamino)-2-(4-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCN(C)C(C(=O)N1CCN(c2ccc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)cn2)CC1)c1ccc(F)cc1
InChIInChI=1S/C31H30FN9O/c1-37(2)30(21-4-7-26(32)8-5-21)31(42)40-12-10-39(11-13-40)28-9-6-22(16-34-28)27-14-23(25-18-35-38(3)19-25)20-41-29(27)24(15-33)17-36-41/h4-9,14,16-20,30H,10-13H2,1-3H3
InChIKeySWAMXLDYQLTDMH-UHFFFAOYSA-N
MW563.64 g/mol
LogP3.76
Rot. Bonds6

About 4-[6-[4-[2-(dimethylamino)-2-(4-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-[4-[2-(dimethylamino)-2-(4-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 126740358) has the molecular formula C31H30FN9O and a molecular weight of 563.64 g/mol. Its IUPAC name is 4-[6-[4-[2-(dimethylamino)-2-(4-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[6-[4-[2-(dimethylamino)-2-(4-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID126740358
Molecular FormulaC31H30FN9O
Molecular Weight563.64 g/mol
Exact Mass563.26
IUPAC Name4-[6-[4-[2-(dimethylamino)-2-(4-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCN(C)C(C(=O)N1CCN(c2ccc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)cn2)CC1)c1ccc(F)cc1
InChIInChI=1S/C31H30FN9O/c1-37(2)30(21-4-7-26(32)8-5-21)31(42)40-12-10-39(11-13-40)28-9-6-22(16-34-28)27-14-23(25-18-35-38(3)19-25)20-41-29(27)24(15-33)17-36-41/h4-9,14,16-20,30H,10-13H2,1-3H3
InChIKeySWAMXLDYQLTDMH-UHFFFAOYSA-N
XLogP3.76
TPSA98.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500563.64
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[6-[4-[2-(dimethylamino)-2-(4-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-[2-(dimethylamino)-2-(4-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[6-[4-[2-(dimethylamino)-2-(4-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 126740358) is 4-[6-[4-[2-(dimethylamino)-2-(4-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[6-[4-[2-(dimethylamino)-2-(4-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[6-[4-[2-(dimethylamino)-2-(4-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is CN(C)C(C(=O)N1CCN(c2ccc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)cn2)CC1)c1ccc(F)cc1.
What is the InChIKey of 4-[6-[4-[2-(dimethylamino)-2-(4-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is SWAMXLDYQLTDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30FN9O/c1-37(2)30(21-4-7-26(32)8-5-21)31(42)40-12-10-39(11-13-40)28-9-6-22(16-34-28)27-14-23(25-18-35-38(3)19-25)20-41-29(27)24(15-33)17-36-41/h4-9,14,16-20,30H,10-13H2,1-3H3.
What are the key properties of 4-[6-[4-[2-(dimethylamino)-2-(4-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[6-[4-[2-(dimethylamino)-2-(4-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 563.64 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-[2-(dimethylamino)-2-(4-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 126740358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).