1-[3-[2-(cyclohexylamino)-5-fluoropyrimidin-4-yl]phenyl]pyridin-2-one;1-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-4-yl]-4-hydroxypiperidine-4-carboxamide

C43H51F2N9O5 — CID 172592115

About 1-[3-[2-(cyclohexylamino)-5-fluoropyrimidin-4-yl]phenyl]pyridin-2-one;1-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-4-yl]-4-hydroxypiperidine-4-carboxamide

1-[3-[2-(cyclohexylamino)-5-fluoropyrimidin-4-yl]phenyl]pyridin-2-one;1-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-4-yl]-4-hydroxypiperidine-4-carboxamide (PubChem CID 172592115) has the molecular formula C43H51F2N9O5 and a molecular weight of 811.94 g/mol. Its IUPAC name is 1-[3-[2-(cyclohexylamino)-5-fluoropyrimidin-4-yl]phenyl]pyridin-2-one;1-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-4-yl]-4-hydroxypiperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[3-[2-(cyclohexylamino)-5-fluoropyrimidin-4-yl]phenyl]pyridin-2-one;1-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-4-yl]-4-hydroxypiperidine-4-carboxamide
• PubChem CID: 172592115
• Molecular Formula: C43H51F2N9O5
• Molecular Weight: 811.94 g/mol
• Exact Mass: 811.40
• IUPAC Name: 1-[3-[2-(cyclohexylamino)-5-fluoropyrimidin-4-yl]phenyl]pyridin-2-one;1-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-4-yl]-4-hydroxypiperidine-4-carboxamide
• SMILES: NC(=O)C1(O)CCN(C2CCN(c3ccc(NC4CCC(=O)NC4=O)cc3F)CC2)CC1.O=c1ccccn1-c1cccc(-c2nc(NC3CCCCC3)ncc2F)c1
• InChI: InChI=1S/C22H30FN5O4.C21H21FN4O/c23-16-13-14(25-17-2-4-19(29)26-20(17)30)1-3-18(16)28-9-5-15(6-10-28)27-11-7-22(32,8-12-27)21(24)31;22-18-14-23-21(24-16-8-2-1-3-9-16)25-20(18)15-7-6-10-17(13-15)26-12-5-4-11-19(26)27/h1,3,13,15,17,25,32H,2,4-12H2,(H2,24,31)(H,26,29,30);4-7,10-14,16H,1-3,8-9H2,(H,23,24,25)
• InChIKey: QLPNVSBGVIDEIY-UHFFFAOYSA-N
• XLogP: 4.50
• TPSA: 187.81 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	811.94
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(cyclohexylamino)-5-fluoropyrimidin-4-yl]phenyl]pyridin-2-one;1-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-4-yl]-4-hydroxypiperidine-4-carboxamide?

The IUPAC name of 1-[3-[2-(cyclohexylamino)-5-fluoropyrimidin-4-yl]phenyl]pyridin-2-one;1-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-4-yl]-4-hydroxypiperidine-4-carboxamide (CID 172592115) is 1-[3-[2-(cyclohexylamino)-5-fluoropyrimidin-4-yl]phenyl]pyridin-2-one;1-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-4-yl]-4-hydroxypiperidine-4-carboxamide.

What is the SMILES notation for 1-[3-[2-(cyclohexylamino)-5-fluoropyrimidin-4-yl]phenyl]pyridin-2-one;1-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-4-yl]-4-hydroxypiperidine-4-carboxamide?

The canonical SMILES for 1-[3-[2-(cyclohexylamino)-5-fluoropyrimidin-4-yl]phenyl]pyridin-2-one;1-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-4-yl]-4-hydroxypiperidine-4-carboxamide is NC(=O)C1(O)CCN(C2CCN(c3ccc(NC4CCC(=O)NC4=O)cc3F)CC2)CC1.O=c1ccccn1-c1cccc(-c2nc(NC3CCCCC3)ncc2F)c1.

What is the InChIKey of 1-[3-[2-(cyclohexylamino)-5-fluoropyrimidin-4-yl]phenyl]pyridin-2-one;1-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-4-yl]-4-hydroxypiperidine-4-carboxamide?

The InChIKey is QLPNVSBGVIDEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FN5O4.C21H21FN4O/c23-16-13-14(25-17-2-4-19(29)26-20(17)30)1-3-18(16)28-9-5-15(6-10-28)27-11-7-22(32,8-12-27)21(24)31;22-18-14-23-21(24-16-8-2-1-3-9-16)25-20(18)15-7-6-10-17(13-15)26-12-5-4-11-19(26)27/h1,3,13,15,17,25,32H,2,4-12H2,(H2,24,31)(H,26,29,30);4-7,10-14,16H,1-3,8-9H2,(H,23,24,25).

What are the key properties of 1-[3-[2-(cyclohexylamino)-5-fluoropyrimidin-4-yl]phenyl]pyridin-2-one;1-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-4-yl]-4-hydroxypiperidine-4-carboxamide?

1-[3-[2-(cyclohexylamino)-5-fluoropyrimidin-4-yl]phenyl]pyridin-2-one;1-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-4-yl]-4-hydroxypiperidine-4-carboxamide has a molecular weight of 811.94 g/mol, XLogP of 4.50, 9 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[2-(cyclohexylamino)-5-fluoropyrimidin-4-yl]phenyl]pyridin-2-one;1-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-4-yl]-4-hydroxypiperidine-4-carboxamide is sourced from PubChem (CID 172592115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).