1-[3-(6-cyclopropyl-3,4-dihydro-2H-1,7-naphthyridin-1-yl)-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C22H29N5O — CID 177122933

About 1-[3-(6-cyclopropyl-3,4-dihydro-2H-1,7-naphthyridin-1-yl)-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

1-[3-(6-cyclopropyl-3,4-dihydro-2H-1,7-naphthyridin-1-yl)-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 177122933) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is 1-[3-(6-cyclopropyl-3,4-dihydro-2H-1,7-naphthyridin-1-yl)-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

• Compound Name: 1-[3-(6-cyclopropyl-3,4-dihydro-2H-1,7-naphthyridin-1-yl)-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• PubChem CID: 177122933
• Molecular Formula: C22H29N5O
• Molecular Weight: 379.51 g/mol
• Exact Mass: 379.24
• IUPAC Name: 1-[3-(6-cyclopropyl-3,4-dihydro-2H-1,7-naphthyridin-1-yl)-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• SMILES: CC(=O)N1CCc2c(c(N3CCCc4cc(C5CC5)ncc43)nn2C(C)C)C1
• InChI: InChI=1S/C22H29N5O/c1-14(2)27-20-8-10-25(15(3)28)13-18(20)22(24-27)26-9-4-5-17-11-19(16-6-7-16)23-12-21(17)26/h11-12,14,16H,4-10,13H2,1-3H3
• InChIKey: KKHYPVYNUAVQKG-UHFFFAOYSA-N
• XLogP: 3.73
• TPSA: 54.26 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.51
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-(6-cyclopropyl-3,4-dihydro-2H-1,7-naphthyridin-1-yl)-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The IUPAC name of 1-[3-(6-cyclopropyl-3,4-dihydro-2H-1,7-naphthyridin-1-yl)-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 177122933) is 1-[3-(6-cyclopropyl-3,4-dihydro-2H-1,7-naphthyridin-1-yl)-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

What is the SMILES notation for 1-[3-(6-cyclopropyl-3,4-dihydro-2H-1,7-naphthyridin-1-yl)-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The canonical SMILES for 1-[3-(6-cyclopropyl-3,4-dihydro-2H-1,7-naphthyridin-1-yl)-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(N3CCCc4cc(C5CC5)ncc43)nn2C(C)C)C1.

What is the InChIKey of 1-[3-(6-cyclopropyl-3,4-dihydro-2H-1,7-naphthyridin-1-yl)-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The InChIKey is KKHYPVYNUAVQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c1-14(2)27-20-8-10-25(15(3)28)13-18(20)22(24-27)26-9-4-5-17-11-19(16-6-7-16)23-12-21(17)26/h11-12,14,16H,4-10,13H2,1-3H3.

What are the key properties of 1-[3-(6-cyclopropyl-3,4-dihydro-2H-1,7-naphthyridin-1-yl)-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

1-[3-(6-cyclopropyl-3,4-dihydro-2H-1,7-naphthyridin-1-yl)-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 379.51 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(6-cyclopropyl-3,4-dihydro-2H-1,7-naphthyridin-1-yl)-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 177122933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).