6-chloro-7-(2-fluorophenyl)-4-[(2S)-2-methylpiperazin-1-yl]-1-(6-methyl-2-propan-2-yl-2H-pyrimidin-1-yl)pyrido[2,3-d]pyrimidin-2-one

C26H29ClFN7O — CID 167313941

About 6-chloro-7-(2-fluorophenyl)-4-[(2S)-2-methylpiperazin-1-yl]-1-(6-methyl-2-propan-2-yl-2H-pyrimidin-1-yl)pyrido[2,3-d]pyrimidin-2-one

6-chloro-7-(2-fluorophenyl)-4-[(2S)-2-methylpiperazin-1-yl]-1-(6-methyl-2-propan-2-yl-2H-pyrimidin-1-yl)pyrido[2,3-d]pyrimidin-2-one (PubChem CID 167313941) has the molecular formula C26H29ClFN7O and a molecular weight of 510.02 g/mol. Its IUPAC name is 6-chloro-7-(2-fluorophenyl)-4-[(2S)-2-methylpiperazin-1-yl]-1-(6-methyl-2-propan-2-yl-2H-pyrimidin-1-yl)pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

• Compound Name: 6-chloro-7-(2-fluorophenyl)-4-[(2S)-2-methylpiperazin-1-yl]-1-(6-methyl-2-propan-2-yl-2H-pyrimidin-1-yl)pyrido[2,3-d]pyrimidin-2-one
• PubChem CID: 167313941
• Molecular Formula: C26H29ClFN7O
• Molecular Weight: 510.02 g/mol
• Exact Mass: 509.21
• IUPAC Name: 6-chloro-7-(2-fluorophenyl)-4-[(2S)-2-methylpiperazin-1-yl]-1-(6-methyl-2-propan-2-yl-2H-pyrimidin-1-yl)pyrido[2,3-d]pyrimidin-2-one
• SMILES: CC1=CC=NC(C(C)C)N1n1c(=O)nc(N2CCNC[C@@H]2C)c2cc(Cl)c(-c3ccccc3F)nc21
• InChI: InChI=1S/C26H29ClFN7O/c1-15(2)23-30-10-9-16(3)34(23)35-25-19(24(32-26(35)36)33-12-11-29-14-17(33)4)13-20(27)22(31-25)18-7-5-6-8-21(18)28/h5-10,13,15,17,23,29H,11-12,14H2,1-4H3/t17-,23?/m0/s1
• InChIKey: UOTOEVYDGQWUFB-NVHKAFQKSA-N
• XLogP: 3.96
• TPSA: 78.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.02
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-(2-fluorophenyl)-4-[(2S)-2-methylpiperazin-1-yl]-1-(6-methyl-2-propan-2-yl-2H-pyrimidin-1-yl)pyrido[2,3-d]pyrimidin-2-one?

The IUPAC name of 6-chloro-7-(2-fluorophenyl)-4-[(2S)-2-methylpiperazin-1-yl]-1-(6-methyl-2-propan-2-yl-2H-pyrimidin-1-yl)pyrido[2,3-d]pyrimidin-2-one (CID 167313941) is 6-chloro-7-(2-fluorophenyl)-4-[(2S)-2-methylpiperazin-1-yl]-1-(6-methyl-2-propan-2-yl-2H-pyrimidin-1-yl)pyrido[2,3-d]pyrimidin-2-one.

What is the SMILES notation for 6-chloro-7-(2-fluorophenyl)-4-[(2S)-2-methylpiperazin-1-yl]-1-(6-methyl-2-propan-2-yl-2H-pyrimidin-1-yl)pyrido[2,3-d]pyrimidin-2-one?

The canonical SMILES for 6-chloro-7-(2-fluorophenyl)-4-[(2S)-2-methylpiperazin-1-yl]-1-(6-methyl-2-propan-2-yl-2H-pyrimidin-1-yl)pyrido[2,3-d]pyrimidin-2-one is CC1=CC=NC(C(C)C)N1n1c(=O)nc(N2CCNC[C@@H]2C)c2cc(Cl)c(-c3ccccc3F)nc21.

What is the InChIKey of 6-chloro-7-(2-fluorophenyl)-4-[(2S)-2-methylpiperazin-1-yl]-1-(6-methyl-2-propan-2-yl-2H-pyrimidin-1-yl)pyrido[2,3-d]pyrimidin-2-one?

The InChIKey is UOTOEVYDGQWUFB-NVHKAFQKSA-N. The full InChI is InChI=1S/C26H29ClFN7O/c1-15(2)23-30-10-9-16(3)34(23)35-25-19(24(32-26(35)36)33-12-11-29-14-17(33)4)13-20(27)22(31-25)18-7-5-6-8-21(18)28/h5-10,13,15,17,23,29H,11-12,14H2,1-4H3/t17-,23?/m0/s1.

What are the key properties of 6-chloro-7-(2-fluorophenyl)-4-[(2S)-2-methylpiperazin-1-yl]-1-(6-methyl-2-propan-2-yl-2H-pyrimidin-1-yl)pyrido[2,3-d]pyrimidin-2-one?

6-chloro-7-(2-fluorophenyl)-4-[(2S)-2-methylpiperazin-1-yl]-1-(6-methyl-2-propan-2-yl-2H-pyrimidin-1-yl)pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 510.02 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-7-(2-fluorophenyl)-4-[(2S)-2-methylpiperazin-1-yl]-1-(6-methyl-2-propan-2-yl-2H-pyrimidin-1-yl)pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 167313941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).