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

C30H29ClN10O — CID 135241661

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

4-[6-[4-[2-(3-chlorophenyl)-2-(dimethylamino)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile (PubChem CID 135241661) has the molecular formula C30H29ClN10O and a molecular weight of 581.08 g/mol. Its IUPAC name is 4-[6-[4-[2-(3-chlorophenyl)-2-(dimethylamino)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-[6-[4-[2-(3-chlorophenyl)-2-(dimethylamino)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile
• PubChem CID: 135241661
• Molecular Formula: C30H29ClN10O
• Molecular Weight: 581.08 g/mol
• Exact Mass: 580.22
• IUPAC Name: 4-[6-[4-[2-(3-chlorophenyl)-2-(dimethylamino)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile
• SMILES: CN(C)C(C(=O)N1CCN(c2ccc(-c3nc(-c4cnn(C)c4)cn4ncc(C#N)c34)cn2)CC1)c1cccc(Cl)c1
• InChI: InChI=1S/C30H29ClN10O/c1-37(2)29(20-5-4-6-24(31)13-20)30(42)40-11-9-39(10-12-40)26-8-7-21(15-33-26)27-28-22(14-32)16-35-41(28)19-25(36-27)23-17-34-38(3)18-23/h4-8,13,15-19,29H,9-12H2,1-3H3
• InChIKey: CQVNRLODZUQMSQ-UHFFFAOYSA-N
• XLogP: 3.67
• TPSA: 111.48 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	581.08
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-[2-(3-chlorophenyl)-2-(dimethylamino)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile?

The IUPAC name of 4-[6-[4-[2-(3-chlorophenyl)-2-(dimethylamino)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile (CID 135241661) is 4-[6-[4-[2-(3-chlorophenyl)-2-(dimethylamino)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile.

What is the SMILES notation for 4-[6-[4-[2-(3-chlorophenyl)-2-(dimethylamino)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile?

The canonical SMILES for 4-[6-[4-[2-(3-chlorophenyl)-2-(dimethylamino)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile is CN(C)C(C(=O)N1CCN(c2ccc(-c3nc(-c4cnn(C)c4)cn4ncc(C#N)c34)cn2)CC1)c1cccc(Cl)c1.

What is the InChIKey of 4-[6-[4-[2-(3-chlorophenyl)-2-(dimethylamino)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile?

The InChIKey is CQVNRLODZUQMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29ClN10O/c1-37(2)29(20-5-4-6-24(31)13-20)30(42)40-11-9-39(10-12-40)26-8-7-21(15-33-26)27-28-22(14-32)16-35-41(28)19-25(36-27)23-17-34-38(3)18-23/h4-8,13,15-19,29H,9-12H2,1-3H3.

What are the key properties of 4-[6-[4-[2-(3-chlorophenyl)-2-(dimethylamino)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile?

4-[6-[4-[2-(3-chlorophenyl)-2-(dimethylamino)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile has a molecular weight of 581.08 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[4-[2-(3-chlorophenyl)-2-(dimethylamino)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile is sourced from PubChem (CID 135241661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).