4-[6-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-3-pyridinyl]-6-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

C25H28N8O — CID 135223982

About 4-[6-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-3-pyridinyl]-6-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-3-pyridinyl]-6-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 135223982) has the molecular formula C25H28N8O and a molecular weight of 456.55 g/mol. Its IUPAC name is 4-[6-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-3-pyridinyl]-6-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-[6-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-3-pyridinyl]-6-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 135223982
• Molecular Formula: C25H28N8O
• Molecular Weight: 456.55 g/mol
• Exact Mass: 456.24
• IUPAC Name: 4-[6-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-3-pyridinyl]-6-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: CC(C)OCCN1CCN(c2ccc(-c3cc(-c4ccn[nH]4)cn4ncc(C#N)c34)cn2)CC1
• InChI: InChI=1S/C25H28N8O/c1-18(2)34-12-11-31-7-9-32(10-8-31)24-4-3-19(15-27-24)22-13-20(23-5-6-28-30-23)17-33-25(22)21(14-26)16-29-33/h3-6,13,15-18H,7-12H2,1-2H3,(H,28,30)
• InChIKey: JTBVQVVPZMOBEN-UHFFFAOYSA-N
• XLogP: 3.21
• TPSA: 98.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.55
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-3-pyridinyl]-6-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 4-[6-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-3-pyridinyl]-6-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 135223982) is 4-[6-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-3-pyridinyl]-6-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 4-[6-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-3-pyridinyl]-6-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 4-[6-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-3-pyridinyl]-6-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is CC(C)OCCN1CCN(c2ccc(-c3cc(-c4ccn[nH]4)cn4ncc(C#N)c34)cn2)CC1.

What is the InChIKey of 4-[6-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-3-pyridinyl]-6-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is JTBVQVVPZMOBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8O/c1-18(2)34-12-11-31-7-9-32(10-8-31)24-4-3-19(15-27-24)22-13-20(23-5-6-28-30-23)17-33-25(22)21(14-26)16-29-33/h3-6,13,15-18H,7-12H2,1-2H3,(H,28,30).

What are the key properties of 4-[6-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-3-pyridinyl]-6-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

4-[6-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-3-pyridinyl]-6-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 456.55 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-3-pyridinyl]-6-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 135223982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).