7-fluoro-4-[(1-methylpyrazol-4-yl)amino]-6-[(1-prop-2-enoylpiperidin-3-yl)amino]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one

C19H22FN7O2 — CID 146367384

About 7-fluoro-4-[(1-methylpyrazol-4-yl)amino]-6-[(1-prop-2-enoylpiperidin-3-yl)amino]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one

7-fluoro-4-[(1-methylpyrazol-4-yl)amino]-6-[(1-prop-2-enoylpiperidin-3-yl)amino]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one (PubChem CID 146367384) has the molecular formula C19H22FN7O2 and a molecular weight of 399.43 g/mol. Its IUPAC name is 7-fluoro-4-[(1-methylpyrazol-4-yl)amino]-6-[(1-prop-2-enoylpiperidin-3-yl)amino]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one.

Molecular Properties

• Compound Name: 7-fluoro-4-[(1-methylpyrazol-4-yl)amino]-6-[(1-prop-2-enoylpiperidin-3-yl)amino]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
• PubChem CID: 146367384
• Molecular Formula: C19H22FN7O2
• Molecular Weight: 399.43 g/mol
• Exact Mass: 399.18
• IUPAC Name: 7-fluoro-4-[(1-methylpyrazol-4-yl)amino]-6-[(1-prop-2-enoylpiperidin-3-yl)amino]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
• SMILES: C=CC(=O)N1CCCC(Nc2nc(Nc3cnn(C)c3)c3c(c2F)CNC3=O)C1
• InChI: InChI=1S/C19H22FN7O2/c1-3-14(28)27-6-4-5-11(10-27)23-18-16(20)13-8-21-19(29)15(13)17(25-18)24-12-7-22-26(2)9-12/h3,7,9,11H,1,4-6,8,10H2,2H3,(H,21,29)(H2,23,24,25)
• InChIKey: FOUFNRLRAFTOGE-UHFFFAOYSA-N
• XLogP: 1.53
• TPSA: 104.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.43
LogP ≤ 5	1.53
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-[(1-methylpyrazol-4-yl)amino]-6-[(1-prop-2-enoylpiperidin-3-yl)amino]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one?

The IUPAC name of 7-fluoro-4-[(1-methylpyrazol-4-yl)amino]-6-[(1-prop-2-enoylpiperidin-3-yl)amino]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one (CID 146367384) is 7-fluoro-4-[(1-methylpyrazol-4-yl)amino]-6-[(1-prop-2-enoylpiperidin-3-yl)amino]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one.

What is the SMILES notation for 7-fluoro-4-[(1-methylpyrazol-4-yl)amino]-6-[(1-prop-2-enoylpiperidin-3-yl)amino]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one?

The canonical SMILES for 7-fluoro-4-[(1-methylpyrazol-4-yl)amino]-6-[(1-prop-2-enoylpiperidin-3-yl)amino]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one is C=CC(=O)N1CCCC(Nc2nc(Nc3cnn(C)c3)c3c(c2F)CNC3=O)C1.

What is the InChIKey of 7-fluoro-4-[(1-methylpyrazol-4-yl)amino]-6-[(1-prop-2-enoylpiperidin-3-yl)amino]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one?

The InChIKey is FOUFNRLRAFTOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN7O2/c1-3-14(28)27-6-4-5-11(10-27)23-18-16(20)13-8-21-19(29)15(13)17(25-18)24-12-7-22-26(2)9-12/h3,7,9,11H,1,4-6,8,10H2,2H3,(H,21,29)(H2,23,24,25).

What are the key properties of 7-fluoro-4-[(1-methylpyrazol-4-yl)amino]-6-[(1-prop-2-enoylpiperidin-3-yl)amino]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one?

7-fluoro-4-[(1-methylpyrazol-4-yl)amino]-6-[(1-prop-2-enoylpiperidin-3-yl)amino]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one has a molecular weight of 399.43 g/mol, XLogP of 1.53, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-fluoro-4-[(1-methylpyrazol-4-yl)amino]-6-[(1-prop-2-enoylpiperidin-3-yl)amino]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 146367384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).