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

C26H27N9O3 — CID 71573278

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

1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(2-pyrazol-1-ylpyrimidin-5-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one (PubChem CID 71573278) has the molecular formula C26H27N9O3 and a molecular weight of 513.56 g/mol. Its IUPAC name is 1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(2-pyrazol-1-ylpyrimidin-5-yl)-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-(2-pyrazol-1-ylpyrimidin-5-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one
• PubChem CID: 71573278
• Molecular Formula: C26H27N9O3
• Molecular Weight: 513.56 g/mol
• Exact Mass: 513.22
• IUPAC Name: 1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(2-pyrazol-1-ylpyrimidin-5-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one
• SMILES: C[C@@H](O)C(=O)N1CCC(N2C(=O)N(C)Cc3cnc4ccc(-c5cnc(-n6cccn6)nc5)nc4c32)CC1
• InChI: InChI=1S/C26H27N9O3/c1-16(36)24(37)33-10-6-19(7-11-33)35-23-18(15-32(2)26(35)38)14-27-21-5-4-20(31-22(21)23)17-12-28-25(29-13-17)34-9-3-8-30-34/h3-5,8-9,12-14,16,19,36H,6-7,10-11,15H2,1-2H3/t16-/m1/s1
• InChIKey: VLZPBPFOMQLDNU-MRXNPFEDSA-N
• XLogP: 2.02
• TPSA: 133.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.56
LogP ≤ 5	2.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(2-pyrazol-1-ylpyrimidin-5-yl)-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-(2-pyrazol-1-ylpyrimidin-5-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one (CID 71573278) is 1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(2-pyrazol-1-ylpyrimidin-5-yl)-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-(2-pyrazol-1-ylpyrimidin-5-yl)-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-(2-pyrazol-1-ylpyrimidin-5-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one is C[C@@H](O)C(=O)N1CCC(N2C(=O)N(C)Cc3cnc4ccc(-c5cnc(-n6cccn6)nc5)nc4c32)CC1.

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

The InChIKey is VLZPBPFOMQLDNU-MRXNPFEDSA-N. The full InChI is InChI=1S/C26H27N9O3/c1-16(36)24(37)33-10-6-19(7-11-33)35-23-18(15-32(2)26(35)38)14-27-21-5-4-20(31-22(21)23)17-12-28-25(29-13-17)34-9-3-8-30-34/h3-5,8-9,12-14,16,19,36H,6-7,10-11,15H2,1-2H3/t16-/m1/s1.

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

1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(2-pyrazol-1-ylpyrimidin-5-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one has a molecular weight of 513.56 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(2-pyrazol-1-ylpyrimidin-5-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 71573278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).