6-(2,6-dichlorophenyl)-2-[(3,5-difluorophenyl)methyl-propan-2-ylamino]-8-methylpyrido[2,3-d]pyrimidin-7-one

C24H20Cl2F2N4O — CID 127047784

IUPAC6-(2,6-dichlorophenyl)-2-[(3,5-difluorophenyl)methyl-propan-2-ylamino]-8-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCC(C)N(Cc1cc(F)cc(F)c1)c1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(C)c2n1
InChIInChI=1S/C24H20Cl2F2N4O/c1-13(2)32(12-14-7-16(27)10-17(28)8-14)24-29-11-15-9-18(23(33)31(3)22(15)30-24)21-19(25)5-4-6-20(21)26/h4-11,13H,12H2,1-3H3
InChIKeyGTTFUIJVPHLQFW-UHFFFAOYSA-N
MW489.35 g/mol
LogP6.00
Rot. Bonds5

About 6-(2,6-dichlorophenyl)-2-[(3,5-difluorophenyl)methyl-propan-2-ylamino]-8-methylpyrido[2,3-d]pyrimidin-7-one

6-(2,6-dichlorophenyl)-2-[(3,5-difluorophenyl)methyl-propan-2-ylamino]-8-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 127047784) has the molecular formula C24H20Cl2F2N4O and a molecular weight of 489.35 g/mol. Its IUPAC name is 6-(2,6-dichlorophenyl)-2-[(3,5-difluorophenyl)methyl-propan-2-ylamino]-8-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2,6-dichlorophenyl)-2-[(3,5-difluorophenyl)methyl-propan-2-ylamino]-8-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID127047784
Molecular FormulaC24H20Cl2F2N4O
Molecular Weight489.35 g/mol
Exact Mass488.10
IUPAC Name6-(2,6-dichlorophenyl)-2-[(3,5-difluorophenyl)methyl-propan-2-ylamino]-8-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCC(C)N(Cc1cc(F)cc(F)c1)c1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(C)c2n1
InChIInChI=1S/C24H20Cl2F2N4O/c1-13(2)32(12-14-7-16(27)10-17(28)8-14)24-29-11-15-9-18(23(33)31(3)22(15)30-24)21-19(25)5-4-6-20(21)26/h4-11,13H,12H2,1-3H3
InChIKeyGTTFUIJVPHLQFW-UHFFFAOYSA-N
XLogP6.00
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.35
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dichlorophenyl)-2-[(3,5-difluorophenyl)methyl-propan-2-ylamino]-8-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2,6-dichlorophenyl)-2-[(3,5-difluorophenyl)methyl-propan-2-ylamino]-8-methylpyrido[2,3-d]pyrimidin-7-one (CID 127047784) is 6-(2,6-dichlorophenyl)-2-[(3,5-difluorophenyl)methyl-propan-2-ylamino]-8-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2,6-dichlorophenyl)-2-[(3,5-difluorophenyl)methyl-propan-2-ylamino]-8-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2,6-dichlorophenyl)-2-[(3,5-difluorophenyl)methyl-propan-2-ylamino]-8-methylpyrido[2,3-d]pyrimidin-7-one is CC(C)N(Cc1cc(F)cc(F)c1)c1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(C)c2n1.
What is the InChIKey of 6-(2,6-dichlorophenyl)-2-[(3,5-difluorophenyl)methyl-propan-2-ylamino]-8-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is GTTFUIJVPHLQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2F2N4O/c1-13(2)32(12-14-7-16(27)10-17(28)8-14)24-29-11-15-9-18(23(33)31(3)22(15)30-24)21-19(25)5-4-6-20(21)26/h4-11,13H,12H2,1-3H3.
What are the key properties of 6-(2,6-dichlorophenyl)-2-[(3,5-difluorophenyl)methyl-propan-2-ylamino]-8-methylpyrido[2,3-d]pyrimidin-7-one?
6-(2,6-dichlorophenyl)-2-[(3,5-difluorophenyl)methyl-propan-2-ylamino]-8-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 489.35 g/mol, XLogP of 6.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dichlorophenyl)-2-[(3,5-difluorophenyl)methyl-propan-2-ylamino]-8-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 127047784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).