3-methyl-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxamide

C20H23N7O — CID 138588848

About 3-methyl-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxamide

3-methyl-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 138588848) has the molecular formula C20H23N7O and a molecular weight of 377.45 g/mol. Its IUPAC name is 3-methyl-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

• Compound Name: 3-methyl-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
• PubChem CID: 138588848
• Molecular Formula: C20H23N7O
• Molecular Weight: 377.45 g/mol
• Exact Mass: 377.20
• IUPAC Name: 3-methyl-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
• SMILES: CN1CC2CCC(C1)N2C(=O)Nc1cc2cc(-c3cnn(C)c3)ncc2cn1
• InChI: InChI=1S/C20H23N7O/c1-25-11-16-3-4-17(12-25)27(16)20(28)24-19-6-13-5-18(15-9-23-26(2)10-15)21-7-14(13)8-22-19/h5-10,16-17H,3-4,11-12H2,1-2H3,(H,22,24,28)
• InChIKey: PJQOULMPIRPCEQ-UHFFFAOYSA-N
• XLogP: 2.34
• TPSA: 79.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.45
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxamide?

The IUPAC name of 3-methyl-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxamide (CID 138588848) is 3-methyl-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxamide.

What is the SMILES notation for 3-methyl-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxamide?

The canonical SMILES for 3-methyl-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxamide is CN1CC2CCC(C1)N2C(=O)Nc1cc2cc(-c3cnn(C)c3)ncc2cn1.

What is the InChIKey of 3-methyl-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxamide?

The InChIKey is PJQOULMPIRPCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O/c1-25-11-16-3-4-17(12-25)27(16)20(28)24-19-6-13-5-18(15-9-23-26(2)10-15)21-7-14(13)8-22-19/h5-10,16-17H,3-4,11-12H2,1-2H3,(H,22,24,28).

What are the key properties of 3-methyl-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxamide?

3-methyl-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 138588848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).