(6-chloro-3,4-dihydro-1H-2,7-naphthyridin-2-yl)-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone

C20H20ClN5O2 — CID 138635809

About (6-chloro-3,4-dihydro-1H-2,7-naphthyridin-2-yl)-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone

(6-chloro-3,4-dihydro-1H-2,7-naphthyridin-2-yl)-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone (PubChem CID 138635809) has the molecular formula C20H20ClN5O2 and a molecular weight of 397.87 g/mol. Its IUPAC name is (6-chloro-3,4-dihydro-1H-2,7-naphthyridin-2-yl)-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone.

Molecular Properties

• Compound Name: (6-chloro-3,4-dihydro-1H-2,7-naphthyridin-2-yl)-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone
• PubChem CID: 138635809
• Molecular Formula: C20H20ClN5O2
• Molecular Weight: 397.87 g/mol
• Exact Mass: 397.13
• IUPAC Name: (6-chloro-3,4-dihydro-1H-2,7-naphthyridin-2-yl)-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone
• SMILES: Cc1oc2ncnc(NC3(C)CC3)c2c1C(=O)N1CCc2cc(Cl)ncc2C1
• InChI: InChI=1S/C20H20ClN5O2/c1-11-15(16-17(25-20(2)4-5-20)23-10-24-18(16)28-11)19(27)26-6-3-12-7-14(21)22-8-13(12)9-26/h7-8,10H,3-6,9H2,1-2H3,(H,23,24,25)
• InChIKey: GNURZJFNKOZCET-UHFFFAOYSA-N
• XLogP: 3.74
• TPSA: 84.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.87
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (6-chloro-3,4-dihydro-1H-2,7-naphthyridin-2-yl)-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone?

The IUPAC name of (6-chloro-3,4-dihydro-1H-2,7-naphthyridin-2-yl)-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone (CID 138635809) is (6-chloro-3,4-dihydro-1H-2,7-naphthyridin-2-yl)-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone.

What is the SMILES notation for (6-chloro-3,4-dihydro-1H-2,7-naphthyridin-2-yl)-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone?

The canonical SMILES for (6-chloro-3,4-dihydro-1H-2,7-naphthyridin-2-yl)-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone is Cc1oc2ncnc(NC3(C)CC3)c2c1C(=O)N1CCc2cc(Cl)ncc2C1.

What is the InChIKey of (6-chloro-3,4-dihydro-1H-2,7-naphthyridin-2-yl)-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone?

The InChIKey is GNURZJFNKOZCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O2/c1-11-15(16-17(25-20(2)4-5-20)23-10-24-18(16)28-11)19(27)26-6-3-12-7-14(21)22-8-13(12)9-26/h7-8,10H,3-6,9H2,1-2H3,(H,23,24,25).

What are the key properties of (6-chloro-3,4-dihydro-1H-2,7-naphthyridin-2-yl)-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone?

(6-chloro-3,4-dihydro-1H-2,7-naphthyridin-2-yl)-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone has a molecular weight of 397.87 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (6-chloro-3,4-dihydro-1H-2,7-naphthyridin-2-yl)-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone is sourced from PubChem (CID 138635809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).