4-methanimidoyl-N-methyl-6-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-2-[2-(trifluoromethyl)phenyl]pyrimidin-5-amine;2-(2-propan-2-ylphenyl)-4-[(1-pyridin-3-ylpiperidin-4-yl)methoxy]pyrido[2,3-d]pyrimidine

C52H49F6N11O2 — CID 172584585

About 4-methanimidoyl-N-methyl-6-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-2-[2-(trifluoromethyl)phenyl]pyrimidin-5-amine;2-(2-propan-2-ylphenyl)-4-[(1-pyridin-3-ylpiperidin-4-yl)methoxy]pyrido[2,3-d]pyrimidine

4-methanimidoyl-N-methyl-6-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-2-[2-(trifluoromethyl)phenyl]pyrimidin-5-amine;2-(2-propan-2-ylphenyl)-4-[(1-pyridin-3-ylpiperidin-4-yl)methoxy]pyrido[2,3-d]pyrimidine (PubChem CID 172584585) has the molecular formula C52H49F6N11O2 and a molecular weight of 974.03 g/mol. Its IUPAC name is 4-methanimidoyl-N-methyl-6-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-2-[2-(trifluoromethyl)phenyl]pyrimidin-5-amine;2-(2-propan-2-ylphenyl)-4-[(1-pyridin-3-ylpiperidin-4-yl)methoxy]pyrido[2,3-d]pyrimidine.

Molecular Properties

• Compound Name: 4-methanimidoyl-N-methyl-6-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-2-[2-(trifluoromethyl)phenyl]pyrimidin-5-amine;2-(2-propan-2-ylphenyl)-4-[(1-pyridin-3-ylpiperidin-4-yl)methoxy]pyrido[2,3-d]pyrimidine
• PubChem CID: 172584585
• Molecular Formula: C52H49F6N11O2
• Molecular Weight: 974.03 g/mol
• Exact Mass: 973.40
• IUPAC Name: 4-methanimidoyl-N-methyl-6-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-2-[2-(trifluoromethyl)phenyl]pyrimidin-5-amine;2-(2-propan-2-ylphenyl)-4-[(1-pyridin-3-ylpiperidin-4-yl)methoxy]pyrido[2,3-d]pyrimidine
• SMILES: CC(C)c1ccccc1-c1nc(OCC2CCN(c3cccnc3)CC2)c2cccnc2n1.[H]/N=C/c1nc(-c2ccccc2C(F)(F)F)nc(OCc2ccc(-c3nc(C(F)(F)F)cn3C)cc2)c1NC
• InChI: InChI=1S/C27H29N5O.C25H20F6N6O/c1-19(2)22-8-3-4-9-23(22)26-30-25-24(10-6-14-29-25)27(31-26)33-18-20-11-15-32(16-12-20)21-7-5-13-28-17-21;1-33-20-18(11-32)34-21(16-5-3-4-6-17(16)24(26,27)28)36-23(20)38-13-14-7-9-15(10-8-14)22-35-19(12-37(22)2)25(29,30)31/h3-10,13-14,17,19-20H,11-12,15-16,18H2,1-2H3;3-12,32-33H,13H2,1-2H3/b;32-11+
• InChIKey: LHCPLEABMPELIC-PRJMAHMOSA-N
• XLogP: 11.71
• TPSA: 152.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 13
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	974.03
LogP ≤ 5	11.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-methanimidoyl-N-methyl-6-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-2-[2-(trifluoromethyl)phenyl]pyrimidin-5-amine;2-(2-propan-2-ylphenyl)-4-[(1-pyridin-3-ylpiperidin-4-yl)methoxy]pyrido[2,3-d]pyrimidine?

The IUPAC name of 4-methanimidoyl-N-methyl-6-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-2-[2-(trifluoromethyl)phenyl]pyrimidin-5-amine;2-(2-propan-2-ylphenyl)-4-[(1-pyridin-3-ylpiperidin-4-yl)methoxy]pyrido[2,3-d]pyrimidine (CID 172584585) is 4-methanimidoyl-N-methyl-6-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-2-[2-(trifluoromethyl)phenyl]pyrimidin-5-amine;2-(2-propan-2-ylphenyl)-4-[(1-pyridin-3-ylpiperidin-4-yl)methoxy]pyrido[2,3-d]pyrimidine.

What is the SMILES notation for 4-methanimidoyl-N-methyl-6-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-2-[2-(trifluoromethyl)phenyl]pyrimidin-5-amine;2-(2-propan-2-ylphenyl)-4-[(1-pyridin-3-ylpiperidin-4-yl)methoxy]pyrido[2,3-d]pyrimidine?

The canonical SMILES for 4-methanimidoyl-N-methyl-6-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-2-[2-(trifluoromethyl)phenyl]pyrimidin-5-amine;2-(2-propan-2-ylphenyl)-4-[(1-pyridin-3-ylpiperidin-4-yl)methoxy]pyrido[2,3-d]pyrimidine is CC(C)c1ccccc1-c1nc(OCC2CCN(c3cccnc3)CC2)c2cccnc2n1.[H]/N=C/c1nc(-c2ccccc2C(F)(F)F)nc(OCc2ccc(-c3nc(C(F)(F)F)cn3C)cc2)c1NC.

What is the InChIKey of 4-methanimidoyl-N-methyl-6-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-2-[2-(trifluoromethyl)phenyl]pyrimidin-5-amine;2-(2-propan-2-ylphenyl)-4-[(1-pyridin-3-ylpiperidin-4-yl)methoxy]pyrido[2,3-d]pyrimidine?

The InChIKey is LHCPLEABMPELIC-PRJMAHMOSA-N. The full InChI is InChI=1S/C27H29N5O.C25H20F6N6O/c1-19(2)22-8-3-4-9-23(22)26-30-25-24(10-6-14-29-25)27(31-26)33-18-20-11-15-32(16-12-20)21-7-5-13-28-17-21;1-33-20-18(11-32)34-21(16-5-3-4-6-17(16)24(26,27)28)36-23(20)38-13-14-7-9-15(10-8-14)22-35-19(12-37(22)2)25(29,30)31/h3-10,13-14,17,19-20H,11-12,15-16,18H2,1-2H3;3-12,32-33H,13H2,1-2H3/b;32-11+.

What are the key properties of 4-methanimidoyl-N-methyl-6-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-2-[2-(trifluoromethyl)phenyl]pyrimidin-5-amine;2-(2-propan-2-ylphenyl)-4-[(1-pyridin-3-ylpiperidin-4-yl)methoxy]pyrido[2,3-d]pyrimidine?

4-methanimidoyl-N-methyl-6-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-2-[2-(trifluoromethyl)phenyl]pyrimidin-5-amine;2-(2-propan-2-ylphenyl)-4-[(1-pyridin-3-ylpiperidin-4-yl)methoxy]pyrido[2,3-d]pyrimidine has a molecular weight of 974.03 g/mol, XLogP of 11.71, 13 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methanimidoyl-N-methyl-6-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-2-[2-(trifluoromethyl)phenyl]pyrimidin-5-amine;2-(2-propan-2-ylphenyl)-4-[(1-pyridin-3-ylpiperidin-4-yl)methoxy]pyrido[2,3-d]pyrimidine is sourced from PubChem (CID 172584585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).