3-[8-(2,6-difluorophenyl)-7-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-4-yl]-4-methyl-N-(2-phenylethyl)benzamide

C38H40F2N6O2 — CID 11947938

IUPAC3-[8-(2,6-difluorophenyl)-7-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-4-yl]-4-methyl-N-(2-phenylethyl)benzamide
SMILESCc1ccc(C(=O)NCCc2ccccc2)cc1-c1nc(NC2CC(C)(C)NC(C)(C)C2)nc2c1ccc(=O)n2-c1c(F)cccc1F
InChIInChI=1S/C38H40F2N6O2/c1-23-14-15-25(35(48)41-19-18-24-10-7-6-8-11-24)20-28(23)32-27-16-17-31(47)46(33-29(39)12-9-13-30(33)40)34(27)44-36(43-32)42-26-21-37(2,3)45-38(4,5)22-26/h6-17,20,26,45H,18-19,21-22H2,1-5H3,(H,41,48)(H,42,43,44)
InChIKeyCSAXKORFQONXNT-UHFFFAOYSA-N
MW650.77 g/mol
LogP6.73
Rot. Bonds8

About 3-[8-(2,6-difluorophenyl)-7-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-4-yl]-4-methyl-N-(2-phenylethyl)benzamide

3-[8-(2,6-difluorophenyl)-7-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-4-yl]-4-methyl-N-(2-phenylethyl)benzamide (PubChem CID 11947938) has the molecular formula C38H40F2N6O2 and a molecular weight of 650.77 g/mol. Its IUPAC name is 3-[8-(2,6-difluorophenyl)-7-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-4-yl]-4-methyl-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name3-[8-(2,6-difluorophenyl)-7-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-4-yl]-4-methyl-N-(2-phenylethyl)benzamide
PubChem CID11947938
Molecular FormulaC38H40F2N6O2
Molecular Weight650.77 g/mol
Exact Mass650.32
IUPAC Name3-[8-(2,6-difluorophenyl)-7-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-4-yl]-4-methyl-N-(2-phenylethyl)benzamide
SMILESCc1ccc(C(=O)NCCc2ccccc2)cc1-c1nc(NC2CC(C)(C)NC(C)(C)C2)nc2c1ccc(=O)n2-c1c(F)cccc1F
InChIInChI=1S/C38H40F2N6O2/c1-23-14-15-25(35(48)41-19-18-24-10-7-6-8-11-24)20-28(23)32-27-16-17-31(47)46(33-29(39)12-9-13-30(33)40)34(27)44-36(43-32)42-26-21-37(2,3)45-38(4,5)22-26/h6-17,20,26,45H,18-19,21-22H2,1-5H3,(H,41,48)(H,42,43,44)
InChIKeyCSAXKORFQONXNT-UHFFFAOYSA-N
XLogP6.73
TPSA100.94 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.77
LogP ≤ 56.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-[8-(2,6-difluorophenyl)-7-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-4-yl]-4-methyl-N-(2-phenylethyl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[8-(2,6-difluorophenyl)-7-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-4-yl]-4-methyl-N-(2-phenylethyl)benzamide?
The IUPAC name of 3-[8-(2,6-difluorophenyl)-7-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-4-yl]-4-methyl-N-(2-phenylethyl)benzamide (CID 11947938) is 3-[8-(2,6-difluorophenyl)-7-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-4-yl]-4-methyl-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 3-[8-(2,6-difluorophenyl)-7-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-4-yl]-4-methyl-N-(2-phenylethyl)benzamide?
The canonical SMILES for 3-[8-(2,6-difluorophenyl)-7-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-4-yl]-4-methyl-N-(2-phenylethyl)benzamide is Cc1ccc(C(=O)NCCc2ccccc2)cc1-c1nc(NC2CC(C)(C)NC(C)(C)C2)nc2c1ccc(=O)n2-c1c(F)cccc1F.
What is the InChIKey of 3-[8-(2,6-difluorophenyl)-7-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-4-yl]-4-methyl-N-(2-phenylethyl)benzamide?
The InChIKey is CSAXKORFQONXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H40F2N6O2/c1-23-14-15-25(35(48)41-19-18-24-10-7-6-8-11-24)20-28(23)32-27-16-17-31(47)46(33-29(39)12-9-13-30(33)40)34(27)44-36(43-32)42-26-21-37(2,3)45-38(4,5)22-26/h6-17,20,26,45H,18-19,21-22H2,1-5H3,(H,41,48)(H,42,43,44).
What are the key properties of 3-[8-(2,6-difluorophenyl)-7-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-4-yl]-4-methyl-N-(2-phenylethyl)benzamide?
3-[8-(2,6-difluorophenyl)-7-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-4-yl]-4-methyl-N-(2-phenylethyl)benzamide has a molecular weight of 650.77 g/mol, XLogP of 6.73, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-(2,6-difluorophenyl)-7-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-4-yl]-4-methyl-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 11947938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).