6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(cyclohexen-1-yl)-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one;bis(6-cyclohexyl-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one)

C93H97F12N17O5 — CID 158633394

IUPAC6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(cyclohexen-1-yl)-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one;bis(6-cyclohexyl-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one)
SMILESCC(=O)N1CCC=C(c2cc3c(N[C@H](C)c4cccc(C(F)F)c4F)ncnc3n(C)c2=O)C1.C[C@@H](Nc1ncnc2c1cc(C1=CCCCC1)c(=O)n2C)c1cccc(C(F)F)c1F.C[C@@H](Nc1ncnc2c1cc(C1CCCCC1)c(=O)n2C)c1cccc(C(F)F)c1F.C[C@@H](Nc1ncnc2c1cc(C1CCCCC1)c(=O)n2C)c1cccc(C(F)F)c1F
InChIInChI=1S/C24H24F3N5O2.2C23H25F3N4O.C23H23F3N4O/c1-13(16-7-4-8-17(20(16)25)21(26)27)30-22-19-10-18(15-6-5-9-32(11-15)14(2)33)24(34)31(3)23(19)29-12-28-22;3*1-13(15-9-6-10-16(19(15)24)20(25)26)29-21-18-11-17(14-7-4-3-5-8-14)23(31)30(2)22(18)28-12-27-21/h4,6-8,10,12-13,21H,5,9,11H2,1-3H3,(H,28,29,30);2*6,9-14,20H,3-5,7-8H2,1-2H3,(H,27,28,29);6-7,9-13,20H,3-5,8H2,1-2H3,(H,27,28,29)/t4*13-/m1111/s1
InChIKeyHZLUBKQLVGJIRH-MBORSGHCSA-N
MW1760.89 g/mol
LogP21.00
Rot. Bonds20

About 6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(cyclohexen-1-yl)-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one;bis(6-cyclohexyl-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one)

6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(cyclohexen-1-yl)-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one;bis(6-cyclohexyl-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one) (PubChem CID 158633394) has the molecular formula C93H97F12N17O5 and a molecular weight of 1760.89 g/mol. Its IUPAC name is 6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(cyclohexen-1-yl)-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one;bis(6-cyclohexyl-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one).

Molecular Properties

Compound Name6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(cyclohexen-1-yl)-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one;bis(6-cyclohexyl-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one)
PubChem CID158633394
Molecular FormulaC93H97F12N17O5
Molecular Weight1760.89 g/mol
Exact Mass1759.77
IUPAC Name6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(cyclohexen-1-yl)-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one;bis(6-cyclohexyl-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one)
SMILESCC(=O)N1CCC=C(c2cc3c(N[C@H](C)c4cccc(C(F)F)c4F)ncnc3n(C)c2=O)C1.C[C@@H](Nc1ncnc2c1cc(C1=CCCCC1)c(=O)n2C)c1cccc(C(F)F)c1F.C[C@@H](Nc1ncnc2c1cc(C1CCCCC1)c(=O)n2C)c1cccc(C(F)F)c1F.C[C@@H](Nc1ncnc2c1cc(C1CCCCC1)c(=O)n2C)c1cccc(C(F)F)c1F
InChIInChI=1S/C24H24F3N5O2.2C23H25F3N4O.C23H23F3N4O/c1-13(16-7-4-8-17(20(16)25)21(26)27)30-22-19-10-18(15-6-5-9-32(11-15)14(2)33)24(34)31(3)23(19)29-12-28-22;3*1-13(15-9-6-10-16(19(15)24)20(25)26)29-21-18-11-17(14-7-4-3-5-8-14)23(31)30(2)22(18)28-12-27-21/h4,6-8,10,12-13,21H,5,9,11H2,1-3H3,(H,28,29,30);2*6,9-14,20H,3-5,7-8H2,1-2H3,(H,27,28,29);6-7,9-13,20H,3-5,8H2,1-2H3,(H,27,28,29)/t4*13-/m1111/s1
InChIKeyHZLUBKQLVGJIRH-MBORSGHCSA-N
XLogP21.00
TPSA259.55 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds20
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001760.89
LogP ≤ 521.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Analyze 6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(cyclohexen-1-yl)-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one;bis(6-cyclohexyl-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one) with MolForge

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Related Compounds

US11168102, Example 29-5.
CID 156337770
US11168102, Example 1-20.
CID 156352663
US11168102, Example 21-2.
CID 156352688
US11168102, Example 21-5.
CID 156352690
US11168102, Example 1-16.
CID 156352701
US11168102, Example 8-3.
CID 156352718
US11168102, Example 29-3.
CID 156352765
US11168102, Example 1-3.
CID 156352847
US11168102, Example 1-12.
CID 156352858
US11168102, Example 1-24.
CID 156352865
US11168102, Example 1-4.
CID 156352887
US11168102, Example 1-14.
CID 156352914

Frequently Asked Questions

What is the IUPAC name of 6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(cyclohexen-1-yl)-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one;bis(6-cyclohexyl-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one)?
The IUPAC name of 6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(cyclohexen-1-yl)-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one;bis(6-cyclohexyl-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one) (CID 158633394) is 6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(cyclohexen-1-yl)-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one;bis(6-cyclohexyl-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one).
What is the SMILES notation for 6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(cyclohexen-1-yl)-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one;bis(6-cyclohexyl-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one)?
The canonical SMILES for 6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(cyclohexen-1-yl)-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one;bis(6-cyclohexyl-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one) is CC(=O)N1CCC=C(c2cc3c(N[C@H](C)c4cccc(C(F)F)c4F)ncnc3n(C)c2=O)C1.C[C@@H](Nc1ncnc2c1cc(C1=CCCCC1)c(=O)n2C)c1cccc(C(F)F)c1F.C[C@@H](Nc1ncnc2c1cc(C1CCCCC1)c(=O)n2C)c1cccc(C(F)F)c1F.C[C@@H](Nc1ncnc2c1cc(C1CCCCC1)c(=O)n2C)c1cccc(C(F)F)c1F.
What is the InChIKey of 6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(cyclohexen-1-yl)-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one;bis(6-cyclohexyl-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one)?
The InChIKey is HZLUBKQLVGJIRH-MBORSGHCSA-N. The full InChI is InChI=1S/C24H24F3N5O2.2C23H25F3N4O.C23H23F3N4O/c1-13(16-7-4-8-17(20(16)25)21(26)27)30-22-19-10-18(15-6-5-9-32(11-15)14(2)33)24(34)31(3)23(19)29-12-28-22;3*1-13(15-9-6-10-16(19(15)24)20(25)26)29-21-18-11-17(14-7-4-3-5-8-14)23(31)30(2)22(18)28-12-27-21/h4,6-8,10,12-13,21H,5,9,11H2,1-3H3,(H,28,29,30);2*6,9-14,20H,3-5,7-8H2,1-2H3,(H,27,28,29);6-7,9-13,20H,3-5,8H2,1-2H3,(H,27,28,29)/t4*13-/m1111/s1.
What are the key properties of 6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(cyclohexen-1-yl)-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one;bis(6-cyclohexyl-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one)?
6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(cyclohexen-1-yl)-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one;bis(6-cyclohexyl-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one) has a molecular weight of 1760.89 g/mol, XLogP of 21.00, 20 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(cyclohexen-1-yl)-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one;bis(6-cyclohexyl-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one) is sourced from PubChem (CID 158633394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).