4-[[3-(difluoromethyl)-2-fluorophenyl]methyl-methylamino]-8-methyl-6-pyridin-4-ylpyrido[2,3-d]pyrimidin-7-one

C22H18F3N5O — CID 166129936

IUPAC4-[[3-(difluoromethyl)-2-fluorophenyl]methyl-methylamino]-8-methyl-6-pyridin-4-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCN(Cc1cccc(C(F)F)c1F)c1ncnc2c1cc(-c1ccncc1)c(=O)n2C
InChIInChI=1S/C22H18F3N5O/c1-29(11-14-4-3-5-15(18(14)23)19(24)25)20-17-10-16(13-6-8-26-9-7-13)22(31)30(2)21(17)28-12-27-20/h3-10,12,19H,11H2,1-2H3
InChIKeyCTMVCBAJYIPIFY-UHFFFAOYSA-N
MW425.41 g/mol
LogP4.10
Rot. Bonds5

About 4-[[3-(difluoromethyl)-2-fluorophenyl]methyl-methylamino]-8-methyl-6-pyridin-4-ylpyrido[2,3-d]pyrimidin-7-one

4-[[3-(difluoromethyl)-2-fluorophenyl]methyl-methylamino]-8-methyl-6-pyridin-4-ylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 166129936) has the molecular formula C22H18F3N5O and a molecular weight of 425.41 g/mol. Its IUPAC name is 4-[[3-(difluoromethyl)-2-fluorophenyl]methyl-methylamino]-8-methyl-6-pyridin-4-ylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-[[3-(difluoromethyl)-2-fluorophenyl]methyl-methylamino]-8-methyl-6-pyridin-4-ylpyrido[2,3-d]pyrimidin-7-one
PubChem CID166129936
Molecular FormulaC22H18F3N5O
Molecular Weight425.41 g/mol
Exact Mass425.15
IUPAC Name4-[[3-(difluoromethyl)-2-fluorophenyl]methyl-methylamino]-8-methyl-6-pyridin-4-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCN(Cc1cccc(C(F)F)c1F)c1ncnc2c1cc(-c1ccncc1)c(=O)n2C
InChIInChI=1S/C22H18F3N5O/c1-29(11-14-4-3-5-15(18(14)23)19(24)25)20-17-10-16(13-6-8-26-9-7-13)22(31)30(2)21(17)28-12-27-20/h3-10,12,19H,11H2,1-2H3
InChIKeyCTMVCBAJYIPIFY-UHFFFAOYSA-N
XLogP4.10
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.41
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(difluoromethyl)-2-fluorophenyl]methyl-methylamino]-8-methyl-6-pyridin-4-ylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4-[[3-(difluoromethyl)-2-fluorophenyl]methyl-methylamino]-8-methyl-6-pyridin-4-ylpyrido[2,3-d]pyrimidin-7-one (CID 166129936) is 4-[[3-(difluoromethyl)-2-fluorophenyl]methyl-methylamino]-8-methyl-6-pyridin-4-ylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-[[3-(difluoromethyl)-2-fluorophenyl]methyl-methylamino]-8-methyl-6-pyridin-4-ylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4-[[3-(difluoromethyl)-2-fluorophenyl]methyl-methylamino]-8-methyl-6-pyridin-4-ylpyrido[2,3-d]pyrimidin-7-one is CN(Cc1cccc(C(F)F)c1F)c1ncnc2c1cc(-c1ccncc1)c(=O)n2C.
What is the InChIKey of 4-[[3-(difluoromethyl)-2-fluorophenyl]methyl-methylamino]-8-methyl-6-pyridin-4-ylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is CTMVCBAJYIPIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N5O/c1-29(11-14-4-3-5-15(18(14)23)19(24)25)20-17-10-16(13-6-8-26-9-7-13)22(31)30(2)21(17)28-12-27-20/h3-10,12,19H,11H2,1-2H3.
What are the key properties of 4-[[3-(difluoromethyl)-2-fluorophenyl]methyl-methylamino]-8-methyl-6-pyridin-4-ylpyrido[2,3-d]pyrimidin-7-one?
4-[[3-(difluoromethyl)-2-fluorophenyl]methyl-methylamino]-8-methyl-6-pyridin-4-ylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 425.41 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(difluoromethyl)-2-fluorophenyl]methyl-methylamino]-8-methyl-6-pyridin-4-ylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 166129936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).