(4-methoxy-6,8-dihydro-5H-1,7-naphthyridin-7-yl)-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone

C21H23N5O3 — CID 166756752

About (4-methoxy-6,8-dihydro-5H-1,7-naphthyridin-7-yl)-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone

(4-methoxy-6,8-dihydro-5H-1,7-naphthyridin-7-yl)-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone (PubChem CID 166756752) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is (4-methoxy-6,8-dihydro-5H-1,7-naphthyridin-7-yl)-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone.

Molecular Properties

• Compound Name: (4-methoxy-6,8-dihydro-5H-1,7-naphthyridin-7-yl)-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone
• PubChem CID: 166756752
• Molecular Formula: C21H23N5O3
• Molecular Weight: 393.45 g/mol
• Exact Mass: 393.18
• IUPAC Name: (4-methoxy-6,8-dihydro-5H-1,7-naphthyridin-7-yl)-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone
• SMILES: COc1ccnc2c1CCN(C(=O)c1c(C)oc3ncnc(NC4(C)CC4)c13)C2
• InChI: InChI=1S/C21H23N5O3/c1-12-16(17-18(25-21(2)6-7-21)23-11-24-19(17)29-12)20(27)26-9-5-13-14(10-26)22-8-4-15(13)28-3/h4,8,11H,5-7,9-10H2,1-3H3,(H,23,24,25)
• InChIKey: ZGABMMAHRXUYGJ-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 93.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.45
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-6,8-dihydro-5H-1,7-naphthyridin-7-yl)-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone?

The IUPAC name of (4-methoxy-6,8-dihydro-5H-1,7-naphthyridin-7-yl)-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone (CID 166756752) is (4-methoxy-6,8-dihydro-5H-1,7-naphthyridin-7-yl)-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone.

What is the SMILES notation for (4-methoxy-6,8-dihydro-5H-1,7-naphthyridin-7-yl)-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone?

The canonical SMILES for (4-methoxy-6,8-dihydro-5H-1,7-naphthyridin-7-yl)-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone is COc1ccnc2c1CCN(C(=O)c1c(C)oc3ncnc(NC4(C)CC4)c13)C2.

What is the InChIKey of (4-methoxy-6,8-dihydro-5H-1,7-naphthyridin-7-yl)-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone?

The InChIKey is ZGABMMAHRXUYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-12-16(17-18(25-21(2)6-7-21)23-11-24-19(17)29-12)20(27)26-9-5-13-14(10-26)22-8-4-15(13)28-3/h4,8,11H,5-7,9-10H2,1-3H3,(H,23,24,25).

What are the key properties of (4-methoxy-6,8-dihydro-5H-1,7-naphthyridin-7-yl)-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone?

(4-methoxy-6,8-dihydro-5H-1,7-naphthyridin-7-yl)-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone has a molecular weight of 393.45 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (4-methoxy-6,8-dihydro-5H-1,7-naphthyridin-7-yl)-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone is sourced from PubChem (CID 166756752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).