N-[5-[[6-[(3R)-3-(2,5-difluorophenyl)-1,2-oxazolidin-2-yl]pyrimidin-4-yl]amino]-4-methoxy-2-[4-[(2R)-2-methylmorpholin-4-yl]piperidin-1-yl]phenyl]prop-2-enamide

C33H39F2N7O4 — CID 155695865

About N-[5-[[6-[(3R)-3-(2,5-difluorophenyl)-1,2-oxazolidin-2-yl]pyrimidin-4-yl]amino]-4-methoxy-2-[4-[(2R)-2-methylmorpholin-4-yl]piperidin-1-yl]phenyl]prop-2-enamide

N-[5-[[6-[(3R)-3-(2,5-difluorophenyl)-1,2-oxazolidin-2-yl]pyrimidin-4-yl]amino]-4-methoxy-2-[4-[(2R)-2-methylmorpholin-4-yl]piperidin-1-yl]phenyl]prop-2-enamide (PubChem CID 155695865) has the molecular formula C33H39F2N7O4 and a molecular weight of 635.72 g/mol. Its IUPAC name is N-[5-[[6-[(3R)-3-(2,5-difluorophenyl)-1,2-oxazolidin-2-yl]pyrimidin-4-yl]amino]-4-methoxy-2-[4-[(2R)-2-methylmorpholin-4-yl]piperidin-1-yl]phenyl]prop-2-enamide.

Molecular Properties

• Compound Name: N-[5-[[6-[(3R)-3-(2,5-difluorophenyl)-1,2-oxazolidin-2-yl]pyrimidin-4-yl]amino]-4-methoxy-2-[4-[(2R)-2-methylmorpholin-4-yl]piperidin-1-yl]phenyl]prop-2-enamide
• PubChem CID: 155695865
• Molecular Formula: C33H39F2N7O4
• Molecular Weight: 635.72 g/mol
• Exact Mass: 635.30
• IUPAC Name: N-[5-[[6-[(3R)-3-(2,5-difluorophenyl)-1,2-oxazolidin-2-yl]pyrimidin-4-yl]amino]-4-methoxy-2-[4-[(2R)-2-methylmorpholin-4-yl]piperidin-1-yl]phenyl]prop-2-enamide
• SMILES: C=CC(=O)Nc1cc(Nc2cc(N3OCC[C@@H]3c3cc(F)ccc3F)ncn2)c(OC)cc1N1CCC(N2CCO[C@H](C)C2)CC1
• InChI: InChI=1S/C33H39F2N7O4/c1-4-33(43)39-26-16-27(30(44-3)17-29(26)40-10-7-23(8-11-40)41-12-14-45-21(2)19-41)38-31-18-32(37-20-36-31)42-28(9-13-46-42)24-15-22(34)5-6-25(24)35/h4-6,15-18,20-21,23,28H,1,7-14,19H2,2-3H3,(H,39,43)(H,36,37,38)/t21-,28-/m1/s1
• InChIKey: ZYCSDWUMGBRJPP-LYZGTLIUSA-N
• XLogP: 5.20
• TPSA: 104.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	635.72
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-[[6-[(3R)-3-(2,5-difluorophenyl)-1,2-oxazolidin-2-yl]pyrimidin-4-yl]amino]-4-methoxy-2-[4-[(2R)-2-methylmorpholin-4-yl]piperidin-1-yl]phenyl]prop-2-enamide?

The IUPAC name of N-[5-[[6-[(3R)-3-(2,5-difluorophenyl)-1,2-oxazolidin-2-yl]pyrimidin-4-yl]amino]-4-methoxy-2-[4-[(2R)-2-methylmorpholin-4-yl]piperidin-1-yl]phenyl]prop-2-enamide (CID 155695865) is N-[5-[[6-[(3R)-3-(2,5-difluorophenyl)-1,2-oxazolidin-2-yl]pyrimidin-4-yl]amino]-4-methoxy-2-[4-[(2R)-2-methylmorpholin-4-yl]piperidin-1-yl]phenyl]prop-2-enamide.

What is the SMILES notation for N-[5-[[6-[(3R)-3-(2,5-difluorophenyl)-1,2-oxazolidin-2-yl]pyrimidin-4-yl]amino]-4-methoxy-2-[4-[(2R)-2-methylmorpholin-4-yl]piperidin-1-yl]phenyl]prop-2-enamide?

The canonical SMILES for N-[5-[[6-[(3R)-3-(2,5-difluorophenyl)-1,2-oxazolidin-2-yl]pyrimidin-4-yl]amino]-4-methoxy-2-[4-[(2R)-2-methylmorpholin-4-yl]piperidin-1-yl]phenyl]prop-2-enamide is C=CC(=O)Nc1cc(Nc2cc(N3OCC[C@@H]3c3cc(F)ccc3F)ncn2)c(OC)cc1N1CCC(N2CCO[C@H](C)C2)CC1.

What is the InChIKey of N-[5-[[6-[(3R)-3-(2,5-difluorophenyl)-1,2-oxazolidin-2-yl]pyrimidin-4-yl]amino]-4-methoxy-2-[4-[(2R)-2-methylmorpholin-4-yl]piperidin-1-yl]phenyl]prop-2-enamide?

The InChIKey is ZYCSDWUMGBRJPP-LYZGTLIUSA-N. The full InChI is InChI=1S/C33H39F2N7O4/c1-4-33(43)39-26-16-27(30(44-3)17-29(26)40-10-7-23(8-11-40)41-12-14-45-21(2)19-41)38-31-18-32(37-20-36-31)42-28(9-13-46-42)24-15-22(34)5-6-25(24)35/h4-6,15-18,20-21,23,28H,1,7-14,19H2,2-3H3,(H,39,43)(H,36,37,38)/t21-,28-/m1/s1.

What are the key properties of N-[5-[[6-[(3R)-3-(2,5-difluorophenyl)-1,2-oxazolidin-2-yl]pyrimidin-4-yl]amino]-4-methoxy-2-[4-[(2R)-2-methylmorpholin-4-yl]piperidin-1-yl]phenyl]prop-2-enamide?

N-[5-[[6-[(3R)-3-(2,5-difluorophenyl)-1,2-oxazolidin-2-yl]pyrimidin-4-yl]amino]-4-methoxy-2-[4-[(2R)-2-methylmorpholin-4-yl]piperidin-1-yl]phenyl]prop-2-enamide has a molecular weight of 635.72 g/mol, XLogP of 5.20, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[[6-[(3R)-3-(2,5-difluorophenyl)-1,2-oxazolidin-2-yl]pyrimidin-4-yl]amino]-4-methoxy-2-[4-[(2R)-2-methylmorpholin-4-yl]piperidin-1-yl]phenyl]prop-2-enamide is sourced from PubChem (CID 155695865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).