N-[4-[1-[3-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]carbamoyl]phenyl]-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide

C35H34F2N8O4 — CID 66824360

IUPACN-[4-[1-[3-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]carbamoyl]phenyl]-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(N[C@H]1CN2CCC1CC2)c1cccc(-n2c(=O)n(C3CCC(NC(=O)c4cn5cc(F)ccc5n4)CC3)c(=O)c3cc(F)cnc32)c1
InChIInChI=1S/C35H34F2N8O4/c36-22-4-9-30-40-29(19-43(30)17-22)33(47)39-24-5-7-25(8-6-24)45-34(48)27-15-23(37)16-38-31(27)44(35(45)49)26-3-1-2-21(14-26)32(46)41-28-18-42-12-10-20(28)11-13-42/h1-4,9,14-17,19-20,24-25,28H,5-8,10-13,18H2,(H,39,47)(H,41,46)/t24?,25?,28-/m0/s1
InChIKeyHBGQRURDKVSNPK-KBMIILLGSA-N
MW668.71 g/mol
LogP3.21
Rot. Bonds6

About N-[4-[1-[3-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]carbamoyl]phenyl]-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide

N-[4-[1-[3-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]carbamoyl]phenyl]-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 66824360) has the molecular formula C35H34F2N8O4 and a molecular weight of 668.71 g/mol. Its IUPAC name is N-[4-[1-[3-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]carbamoyl]phenyl]-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[1-[3-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]carbamoyl]phenyl]-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID66824360
Molecular FormulaC35H34F2N8O4
Molecular Weight668.71 g/mol
Exact Mass668.27
IUPAC NameN-[4-[1-[3-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]carbamoyl]phenyl]-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(N[C@H]1CN2CCC1CC2)c1cccc(-n2c(=O)n(C3CCC(NC(=O)c4cn5cc(F)ccc5n4)CC3)c(=O)c3cc(F)cnc32)c1
InChIInChI=1S/C35H34F2N8O4/c36-22-4-9-30-40-29(19-43(30)17-22)33(47)39-24-5-7-25(8-6-24)45-34(48)27-15-23(37)16-38-31(27)44(35(45)49)26-3-1-2-21(14-26)32(46)41-28-18-42-12-10-20(28)11-13-42/h1-4,9,14-17,19-20,24-25,28H,5-8,10-13,18H2,(H,39,47)(H,41,46)/t24?,25?,28-/m0/s1
InChIKeyHBGQRURDKVSNPK-KBMIILLGSA-N
XLogP3.21
TPSA135.63 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500668.71
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[4-[1-[3-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]carbamoyl]phenyl]-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[3-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]carbamoyl]phenyl]-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[4-[1-[3-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]carbamoyl]phenyl]-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide (CID 66824360) is N-[4-[1-[3-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]carbamoyl]phenyl]-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[1-[3-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]carbamoyl]phenyl]-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[1-[3-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]carbamoyl]phenyl]-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide is O=C(N[C@H]1CN2CCC1CC2)c1cccc(-n2c(=O)n(C3CCC(NC(=O)c4cn5cc(F)ccc5n4)CC3)c(=O)c3cc(F)cnc32)c1.
What is the InChIKey of N-[4-[1-[3-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]carbamoyl]phenyl]-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is HBGQRURDKVSNPK-KBMIILLGSA-N. The full InChI is InChI=1S/C35H34F2N8O4/c36-22-4-9-30-40-29(19-43(30)17-22)33(47)39-24-5-7-25(8-6-24)45-34(48)27-15-23(37)16-38-31(27)44(35(45)49)26-3-1-2-21(14-26)32(46)41-28-18-42-12-10-20(28)11-13-42/h1-4,9,14-17,19-20,24-25,28H,5-8,10-13,18H2,(H,39,47)(H,41,46)/t24?,25?,28-/m0/s1.
What are the key properties of N-[4-[1-[3-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]carbamoyl]phenyl]-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide?
N-[4-[1-[3-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]carbamoyl]phenyl]-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 668.71 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[3-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]carbamoyl]phenyl]-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 66824360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).