N-(4-fluorophenyl)-2-[3-[(4-fluorophenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylbutanamide

C24H20F2N4O2S — CID 20879210

IUPACN-(4-fluorophenyl)-2-[3-[(4-fluorophenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylbutanamide
SMILESCCC(Sc1nc2ncccc2c(=O)n1Cc1ccc(F)cc1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C24H20F2N4O2S/c1-2-20(22(31)28-18-11-9-17(26)10-12-18)33-24-29-21-19(4-3-13-27-21)23(32)30(24)14-15-5-7-16(25)8-6-15/h3-13,20H,2,14H2,1H3,(H,28,31)
InChIKeyVYZBCHYUOQWECZ-UHFFFAOYSA-N
MW466.51 g/mol
LogP4.63
Rot. Bonds7

About N-(4-fluorophenyl)-2-[3-[(4-fluorophenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylbutanamide

N-(4-fluorophenyl)-2-[3-[(4-fluorophenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylbutanamide (PubChem CID 20879210) has the molecular formula C24H20F2N4O2S and a molecular weight of 466.51 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[3-[(4-fluorophenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylbutanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[3-[(4-fluorophenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylbutanamide
PubChem CID20879210
Molecular FormulaC24H20F2N4O2S
Molecular Weight466.51 g/mol
Exact Mass466.13
IUPAC NameN-(4-fluorophenyl)-2-[3-[(4-fluorophenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylbutanamide
SMILESCCC(Sc1nc2ncccc2c(=O)n1Cc1ccc(F)cc1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C24H20F2N4O2S/c1-2-20(22(31)28-18-11-9-17(26)10-12-18)33-24-29-21-19(4-3-13-27-21)23(32)30(24)14-15-5-7-16(25)8-6-15/h3-13,20H,2,14H2,1H3,(H,28,31)
InChIKeyVYZBCHYUOQWECZ-UHFFFAOYSA-N
XLogP4.63
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.51
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-fluorophenyl)-2-[3-[(4-fluorophenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylbutanamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[3-[(4-fluorophenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylbutanamide?
The IUPAC name of N-(4-fluorophenyl)-2-[3-[(4-fluorophenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylbutanamide (CID 20879210) is N-(4-fluorophenyl)-2-[3-[(4-fluorophenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylbutanamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[3-[(4-fluorophenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylbutanamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[3-[(4-fluorophenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylbutanamide is CCC(Sc1nc2ncccc2c(=O)n1Cc1ccc(F)cc1)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[3-[(4-fluorophenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylbutanamide?
The InChIKey is VYZBCHYUOQWECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N4O2S/c1-2-20(22(31)28-18-11-9-17(26)10-12-18)33-24-29-21-19(4-3-13-27-21)23(32)30(24)14-15-5-7-16(25)8-6-15/h3-13,20H,2,14H2,1H3,(H,28,31).
What are the key properties of N-(4-fluorophenyl)-2-[3-[(4-fluorophenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylbutanamide?
N-(4-fluorophenyl)-2-[3-[(4-fluorophenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylbutanamide has a molecular weight of 466.51 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[3-[(4-fluorophenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylbutanamide is sourced from PubChem (CID 20879210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).