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

C24H20F2N4O2S — CID 51468974

IUPAC(2S)-N-(4-fluorophenyl)-2-[3-[(4-fluorophenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylbutanamide
SMILESCC[C@H](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)/t20-/m0/s1
InChIKeyVYZBCHYUOQWECZ-FQEVSTJZSA-N
MW466.51 g/mol
LogP4.63
Rot. Bonds7

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

(2S)-N-(4-fluorophenyl)-2-[3-[(4-fluorophenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylbutanamide (PubChem CID 51468974) has the molecular formula C24H20F2N4O2S and a molecular weight of 466.51 g/mol. Its IUPAC name is (2S)-N-(4-fluorophenyl)-2-[3-[(4-fluorophenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylbutanamide.

Molecular Properties

Compound Name(2S)-N-(4-fluorophenyl)-2-[3-[(4-fluorophenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylbutanamide
PubChem CID51468974
Molecular FormulaC24H20F2N4O2S
Molecular Weight466.51 g/mol
Exact Mass466.13
IUPAC Name(2S)-N-(4-fluorophenyl)-2-[3-[(4-fluorophenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylbutanamide
SMILESCC[C@H](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)/t20-/m0/s1
InChIKeyVYZBCHYUOQWECZ-FQEVSTJZSA-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

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-fluorophenyl)-2-[3-[(4-fluorophenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylbutanamide?
The IUPAC name of (2S)-N-(4-fluorophenyl)-2-[3-[(4-fluorophenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylbutanamide (CID 51468974) is (2S)-N-(4-fluorophenyl)-2-[3-[(4-fluorophenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylbutanamide.
What is the SMILES notation for (2S)-N-(4-fluorophenyl)-2-[3-[(4-fluorophenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylbutanamide?
The canonical SMILES for (2S)-N-(4-fluorophenyl)-2-[3-[(4-fluorophenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylbutanamide is CC[C@H](Sc1nc2ncccc2c(=O)n1Cc1ccc(F)cc1)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of (2S)-N-(4-fluorophenyl)-2-[3-[(4-fluorophenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylbutanamide?
The InChIKey is VYZBCHYUOQWECZ-FQEVSTJZSA-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)/t20-/m0/s1.
What are the key properties of (2S)-N-(4-fluorophenyl)-2-[3-[(4-fluorophenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylbutanamide?
(2S)-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 (2S)-N-(4-fluorophenyl)-2-[3-[(4-fluorophenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylbutanamide is sourced from PubChem (CID 51468974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).