4-methyl-1-[5-[3-[(methylideneamino)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-propan-2-ylpiperidine-4-carboxamide

C28H34N8O — CID 138603888

About 4-methyl-1-[5-[3-[(methylideneamino)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-propan-2-ylpiperidine-4-carboxamide

4-methyl-1-[5-[3-[(methylideneamino)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 138603888) has the molecular formula C28H34N8O and a molecular weight of 498.64 g/mol. Its IUPAC name is 4-methyl-1-[5-[3-[(methylideneamino)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

• Compound Name: 4-methyl-1-[5-[3-[(methylideneamino)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-propan-2-ylpiperidine-4-carboxamide
• PubChem CID: 138603888
• Molecular Formula: C28H34N8O
• Molecular Weight: 498.64 g/mol
• Exact Mass: 498.29
• IUPAC Name: 4-methyl-1-[5-[3-[(methylideneamino)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-propan-2-ylpiperidine-4-carboxamide
• SMILES: C=NCc1cnn2cc(-c3cnn(C)c3)cc(-c3ccc(N4CCC(C)(C(=O)NC(C)C)CC4)nc3)c12
• InChI: InChI=1S/C28H34N8O/c1-19(2)33-27(37)28(3)8-10-35(11-9-28)25-7-6-20(14-30-25)24-12-21(23-16-31-34(5)17-23)18-36-26(24)22(13-29-4)15-32-36/h6-7,12,14-19H,4,8-11,13H2,1-3,5H3,(H,33,37)
• InChIKey: LDIFFNRPBQJYQF-UHFFFAOYSA-N
• XLogP: 4.13
• TPSA: 92.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.64
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[5-[3-[(methylideneamino)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-propan-2-ylpiperidine-4-carboxamide?

The IUPAC name of 4-methyl-1-[5-[3-[(methylideneamino)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-propan-2-ylpiperidine-4-carboxamide (CID 138603888) is 4-methyl-1-[5-[3-[(methylideneamino)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-propan-2-ylpiperidine-4-carboxamide.

What is the SMILES notation for 4-methyl-1-[5-[3-[(methylideneamino)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-propan-2-ylpiperidine-4-carboxamide?

The canonical SMILES for 4-methyl-1-[5-[3-[(methylideneamino)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-propan-2-ylpiperidine-4-carboxamide is C=NCc1cnn2cc(-c3cnn(C)c3)cc(-c3ccc(N4CCC(C)(C(=O)NC(C)C)CC4)nc3)c12.

What is the InChIKey of 4-methyl-1-[5-[3-[(methylideneamino)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-propan-2-ylpiperidine-4-carboxamide?

The InChIKey is LDIFFNRPBQJYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N8O/c1-19(2)33-27(37)28(3)8-10-35(11-9-28)25-7-6-20(14-30-25)24-12-21(23-16-31-34(5)17-23)18-36-26(24)22(13-29-4)15-32-36/h6-7,12,14-19H,4,8-11,13H2,1-3,5H3,(H,33,37).

What are the key properties of 4-methyl-1-[5-[3-[(methylideneamino)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-propan-2-ylpiperidine-4-carboxamide?

4-methyl-1-[5-[3-[(methylideneamino)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 498.64 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-1-[5-[3-[(methylideneamino)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 138603888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).