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

C28H33N7O2 — CID 138603824

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

N-(3-methoxycyclobutyl)-1-[5-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperidine-4-carboxamide (PubChem CID 138603824) has the molecular formula C28H33N7O2 and a molecular weight of 499.62 g/mol. Its IUPAC name is N-(3-methoxycyclobutyl)-1-[5-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-(3-methoxycyclobutyl)-1-[5-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperidine-4-carboxamide
• PubChem CID: 138603824
• Molecular Formula: C28H33N7O2
• Molecular Weight: 499.62 g/mol
• Exact Mass: 499.27
• IUPAC Name: N-(3-methoxycyclobutyl)-1-[5-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperidine-4-carboxamide
• SMILES: COC1CC(NC(=O)C2CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C)c45)cn3)CC2)C1
• InChI: InChI=1S/C28H33N7O2/c1-18-13-31-35-17-21(22-15-30-33(2)16-22)10-25(27(18)35)20-4-5-26(29-14-20)34-8-6-19(7-9-34)28(36)32-23-11-24(12-23)37-3/h4-5,10,13-17,19,23-24H,6-9,11-12H2,1-3H3,(H,32,36)
• InChIKey: ILQICNGYLKCBJM-UHFFFAOYSA-N
• XLogP: 3.62
• TPSA: 89.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.62
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-(3-methoxycyclobutyl)-1-[5-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperidine-4-carboxamide (CID 138603824) is N-(3-methoxycyclobutyl)-1-[5-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperidine-4-carboxamide.

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

The canonical SMILES for N-(3-methoxycyclobutyl)-1-[5-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperidine-4-carboxamide is COC1CC(NC(=O)C2CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C)c45)cn3)CC2)C1.

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

The InChIKey is ILQICNGYLKCBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N7O2/c1-18-13-31-35-17-21(22-15-30-33(2)16-22)10-25(27(18)35)20-4-5-26(29-14-20)34-8-6-19(7-9-34)28(36)32-23-11-24(12-23)37-3/h4-5,10,13-17,19,23-24H,6-9,11-12H2,1-3H3,(H,32,36).

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

N-(3-methoxycyclobutyl)-1-[5-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperidine-4-carboxamide has a molecular weight of 499.62 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-methoxycyclobutyl)-1-[5-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 138603824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).