1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(6-pyrazol-1-yl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one

C27H28N8O3 — CID 71573165

About 1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(6-pyrazol-1-yl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one

1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(6-pyrazol-1-yl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one (PubChem CID 71573165) has the molecular formula C27H28N8O3 and a molecular weight of 512.57 g/mol. Its IUPAC name is 1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(6-pyrazol-1-yl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one.

Molecular Properties

• Compound Name: 1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(6-pyrazol-1-yl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one
• PubChem CID: 71573165
• Molecular Formula: C27H28N8O3
• Molecular Weight: 512.57 g/mol
• Exact Mass: 512.23
• IUPAC Name: 1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(6-pyrazol-1-yl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one
• SMILES: C[C@@H](O)C(=O)N1CCC(N2C(=O)N(C)Cc3cnc4ccc(-c5ccc(-n6cccn6)nc5)nc4c32)CC1
• InChI: InChI=1S/C27H28N8O3/c1-17(36)26(37)33-12-8-20(9-13-33)35-25-19(16-32(2)27(35)38)15-28-22-6-5-21(31-24(22)25)18-4-7-23(29-14-18)34-11-3-10-30-34/h3-7,10-11,14-15,17,20,36H,8-9,12-13,16H2,1-2H3/t17-/m1/s1
• InChIKey: KHNUWDDCIIRGTE-QGZVFWFLSA-N
• XLogP: 2.62
• TPSA: 120.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.57
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(6-pyrazol-1-yl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one?

The IUPAC name of 1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(6-pyrazol-1-yl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one (CID 71573165) is 1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(6-pyrazol-1-yl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one.

What is the SMILES notation for 1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(6-pyrazol-1-yl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one?

The canonical SMILES for 1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(6-pyrazol-1-yl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one is C[C@@H](O)C(=O)N1CCC(N2C(=O)N(C)Cc3cnc4ccc(-c5ccc(-n6cccn6)nc5)nc4c32)CC1.

What is the InChIKey of 1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(6-pyrazol-1-yl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one?

The InChIKey is KHNUWDDCIIRGTE-QGZVFWFLSA-N. The full InChI is InChI=1S/C27H28N8O3/c1-17(36)26(37)33-12-8-20(9-13-33)35-25-19(16-32(2)27(35)38)15-28-22-6-5-21(31-24(22)25)18-4-7-23(29-14-18)34-11-3-10-30-34/h3-7,10-11,14-15,17,20,36H,8-9,12-13,16H2,1-2H3/t17-/m1/s1.

What are the key properties of 1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(6-pyrazol-1-yl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one?

1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(6-pyrazol-1-yl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one has a molecular weight of 512.57 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(6-pyrazol-1-yl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 71573165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).