N-[4-[1-(3,4-difluorophenyl)-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-3-morpholin-4-ylpropanamide

C26H28F3N5O4 — CID 69227959

IUPACN-[4-[1-(3,4-difluorophenyl)-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-3-morpholin-4-ylpropanamide
SMILESO=C(CCN1CCOCC1)NC1CCC(n2c(=O)c3cc(F)cnc3n(-c3ccc(F)c(F)c3)c2=O)CC1
InChIInChI=1S/C26H28F3N5O4/c27-16-13-20-24(30-15-16)33(19-5-6-21(28)22(29)14-19)26(37)34(25(20)36)18-3-1-17(2-4-18)31-23(35)7-8-32-9-11-38-12-10-32/h5-6,13-15,17-18H,1-4,7-12H2,(H,31,35)
InChIKeyHQUFAOZDRULOBN-UHFFFAOYSA-N
MW531.54 g/mol
LogP2.29
Rot. Bonds6

About N-[4-[1-(3,4-difluorophenyl)-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-3-morpholin-4-ylpropanamide

N-[4-[1-(3,4-difluorophenyl)-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-3-morpholin-4-ylpropanamide (PubChem CID 69227959) has the molecular formula C26H28F3N5O4 and a molecular weight of 531.54 g/mol. Its IUPAC name is N-[4-[1-(3,4-difluorophenyl)-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-3-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-[4-[1-(3,4-difluorophenyl)-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-3-morpholin-4-ylpropanamide
PubChem CID69227959
Molecular FormulaC26H28F3N5O4
Molecular Weight531.54 g/mol
Exact Mass531.21
IUPAC NameN-[4-[1-(3,4-difluorophenyl)-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-3-morpholin-4-ylpropanamide
SMILESO=C(CCN1CCOCC1)NC1CCC(n2c(=O)c3cc(F)cnc3n(-c3ccc(F)c(F)c3)c2=O)CC1
InChIInChI=1S/C26H28F3N5O4/c27-16-13-20-24(30-15-16)33(19-5-6-21(28)22(29)14-19)26(37)34(25(20)36)18-3-1-17(2-4-18)31-23(35)7-8-32-9-11-38-12-10-32/h5-6,13-15,17-18H,1-4,7-12H2,(H,31,35)
InChIKeyHQUFAOZDRULOBN-UHFFFAOYSA-N
XLogP2.29
TPSA98.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.54
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(3,4-difluorophenyl)-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-3-morpholin-4-ylpropanamide?
The IUPAC name of N-[4-[1-(3,4-difluorophenyl)-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-3-morpholin-4-ylpropanamide (CID 69227959) is N-[4-[1-(3,4-difluorophenyl)-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-3-morpholin-4-ylpropanamide.
What is the SMILES notation for N-[4-[1-(3,4-difluorophenyl)-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-3-morpholin-4-ylpropanamide?
The canonical SMILES for N-[4-[1-(3,4-difluorophenyl)-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-3-morpholin-4-ylpropanamide is O=C(CCN1CCOCC1)NC1CCC(n2c(=O)c3cc(F)cnc3n(-c3ccc(F)c(F)c3)c2=O)CC1.
What is the InChIKey of N-[4-[1-(3,4-difluorophenyl)-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-3-morpholin-4-ylpropanamide?
The InChIKey is HQUFAOZDRULOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F3N5O4/c27-16-13-20-24(30-15-16)33(19-5-6-21(28)22(29)14-19)26(37)34(25(20)36)18-3-1-17(2-4-18)31-23(35)7-8-32-9-11-38-12-10-32/h5-6,13-15,17-18H,1-4,7-12H2,(H,31,35).
What are the key properties of N-[4-[1-(3,4-difluorophenyl)-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-3-morpholin-4-ylpropanamide?
N-[4-[1-(3,4-difluorophenyl)-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-3-morpholin-4-ylpropanamide has a molecular weight of 531.54 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(3,4-difluorophenyl)-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-3-morpholin-4-ylpropanamide is sourced from PubChem (CID 69227959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).