methane;4-[6-[4-[1-(2-methoxyethyl)pyrazole-3-carbonyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

C29H32N10O2 — CID 162029969

About methane;4-[6-[4-[1-(2-methoxyethyl)pyrazole-3-carbonyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

methane;4-[6-[4-[1-(2-methoxyethyl)pyrazole-3-carbonyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 162029969) has the molecular formula C29H32N10O2 and a molecular weight of 552.64 g/mol. Its IUPAC name is methane;4-[6-[4-[1-(2-methoxyethyl)pyrazole-3-carbonyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: methane;4-[6-[4-[1-(2-methoxyethyl)pyrazole-3-carbonyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 162029969
• Molecular Formula: C29H32N10O2
• Molecular Weight: 552.64 g/mol
• Exact Mass: 552.27
• IUPAC Name: methane;4-[6-[4-[1-(2-methoxyethyl)pyrazole-3-carbonyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: C.COCCn1ccc(C(=O)N2CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)n1
• InChI: InChI=1S/C28H28N10O2.CH4/c1-34-18-23(17-31-34)21-13-24(27-22(14-29)16-32-38(27)19-21)20-3-4-26(30-15-20)35-7-9-36(10-8-35)28(39)25-5-6-37(33-25)11-12-40-2;/h3-6,13,15-19H,7-12H2,1-2H3;1H4
• InChIKey: YVWQQHUDRMZEJU-UHFFFAOYSA-N
• XLogP: 3.11
• TPSA: 122.40 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	552.64
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of methane;4-[6-[4-[1-(2-methoxyethyl)pyrazole-3-carbonyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of methane;4-[6-[4-[1-(2-methoxyethyl)pyrazole-3-carbonyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 162029969) is methane;4-[6-[4-[1-(2-methoxyethyl)pyrazole-3-carbonyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for methane;4-[6-[4-[1-(2-methoxyethyl)pyrazole-3-carbonyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for methane;4-[6-[4-[1-(2-methoxyethyl)pyrazole-3-carbonyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is C.COCCn1ccc(C(=O)N2CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)n1.

What is the InChIKey of methane;4-[6-[4-[1-(2-methoxyethyl)pyrazole-3-carbonyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is YVWQQHUDRMZEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N10O2.CH4/c1-34-18-23(17-31-34)21-13-24(27-22(14-29)16-32-38(27)19-21)20-3-4-26(30-15-20)35-7-9-36(10-8-35)28(39)25-5-6-37(33-25)11-12-40-2;/h3-6,13,15-19H,7-12H2,1-2H3;1H4.

What are the key properties of methane;4-[6-[4-[1-(2-methoxyethyl)pyrazole-3-carbonyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

methane;4-[6-[4-[1-(2-methoxyethyl)pyrazole-3-carbonyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 552.64 g/mol, XLogP of 3.11, 7 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for methane;4-[6-[4-[1-(2-methoxyethyl)pyrazole-3-carbonyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 162029969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).