6-chloro-1-[2-cyclopropyl-4-[(dimethylamino)methyl]phenyl]-7-(2-fluorophenyl)-2,3-dihydropyrido[2,3-d]pyrimidin-4-one

C25H24ClFN4O — CID 159980209

IUPAC6-chloro-1-[2-cyclopropyl-4-[(dimethylamino)methyl]phenyl]-7-(2-fluorophenyl)-2,3-dihydropyrido[2,3-d]pyrimidin-4-one
SMILESCN(C)Cc1ccc(N2CNC(=O)c3cc(Cl)c(-c4ccccc4F)nc32)c(C2CC2)c1
InChIInChI=1S/C25H24ClFN4O/c1-30(2)13-15-7-10-22(18(11-15)16-8-9-16)31-14-28-25(32)19-12-20(26)23(29-24(19)31)17-5-3-4-6-21(17)27/h3-7,10-12,16H,8-9,13-14H2,1-2H3,(H,28,32)
InChIKeyOVWPEVJOWOPFTQ-UHFFFAOYSA-N
MW450.95 g/mol
LogP5.32
Rot. Bonds5

About 6-chloro-1-[2-cyclopropyl-4-[(dimethylamino)methyl]phenyl]-7-(2-fluorophenyl)-2,3-dihydropyrido[2,3-d]pyrimidin-4-one

6-chloro-1-[2-cyclopropyl-4-[(dimethylamino)methyl]phenyl]-7-(2-fluorophenyl)-2,3-dihydropyrido[2,3-d]pyrimidin-4-one (PubChem CID 159980209) has the molecular formula C25H24ClFN4O and a molecular weight of 450.95 g/mol. Its IUPAC name is 6-chloro-1-[2-cyclopropyl-4-[(dimethylamino)methyl]phenyl]-7-(2-fluorophenyl)-2,3-dihydropyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-1-[2-cyclopropyl-4-[(dimethylamino)methyl]phenyl]-7-(2-fluorophenyl)-2,3-dihydropyrido[2,3-d]pyrimidin-4-one
PubChem CID159980209
Molecular FormulaC25H24ClFN4O
Molecular Weight450.95 g/mol
Exact Mass450.16
IUPAC Name6-chloro-1-[2-cyclopropyl-4-[(dimethylamino)methyl]phenyl]-7-(2-fluorophenyl)-2,3-dihydropyrido[2,3-d]pyrimidin-4-one
SMILESCN(C)Cc1ccc(N2CNC(=O)c3cc(Cl)c(-c4ccccc4F)nc32)c(C2CC2)c1
InChIInChI=1S/C25H24ClFN4O/c1-30(2)13-15-7-10-22(18(11-15)16-8-9-16)31-14-28-25(32)19-12-20(26)23(29-24(19)31)17-5-3-4-6-21(17)27/h3-7,10-12,16H,8-9,13-14H2,1-2H3,(H,28,32)
InChIKeyOVWPEVJOWOPFTQ-UHFFFAOYSA-N
XLogP5.32
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.95
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[2-cyclopropyl-4-[(dimethylamino)methyl]phenyl]-7-(2-fluorophenyl)-2,3-dihydropyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-chloro-1-[2-cyclopropyl-4-[(dimethylamino)methyl]phenyl]-7-(2-fluorophenyl)-2,3-dihydropyrido[2,3-d]pyrimidin-4-one (CID 159980209) is 6-chloro-1-[2-cyclopropyl-4-[(dimethylamino)methyl]phenyl]-7-(2-fluorophenyl)-2,3-dihydropyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-chloro-1-[2-cyclopropyl-4-[(dimethylamino)methyl]phenyl]-7-(2-fluorophenyl)-2,3-dihydropyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-chloro-1-[2-cyclopropyl-4-[(dimethylamino)methyl]phenyl]-7-(2-fluorophenyl)-2,3-dihydropyrido[2,3-d]pyrimidin-4-one is CN(C)Cc1ccc(N2CNC(=O)c3cc(Cl)c(-c4ccccc4F)nc32)c(C2CC2)c1.
What is the InChIKey of 6-chloro-1-[2-cyclopropyl-4-[(dimethylamino)methyl]phenyl]-7-(2-fluorophenyl)-2,3-dihydropyrido[2,3-d]pyrimidin-4-one?
The InChIKey is OVWPEVJOWOPFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClFN4O/c1-30(2)13-15-7-10-22(18(11-15)16-8-9-16)31-14-28-25(32)19-12-20(26)23(29-24(19)31)17-5-3-4-6-21(17)27/h3-7,10-12,16H,8-9,13-14H2,1-2H3,(H,28,32).
What are the key properties of 6-chloro-1-[2-cyclopropyl-4-[(dimethylamino)methyl]phenyl]-7-(2-fluorophenyl)-2,3-dihydropyrido[2,3-d]pyrimidin-4-one?
6-chloro-1-[2-cyclopropyl-4-[(dimethylamino)methyl]phenyl]-7-(2-fluorophenyl)-2,3-dihydropyrido[2,3-d]pyrimidin-4-one has a molecular weight of 450.95 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[2-cyclopropyl-4-[(dimethylamino)methyl]phenyl]-7-(2-fluorophenyl)-2,3-dihydropyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 159980209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).