N-[2-chloro-6-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;N-[2-chloro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;bis(1-(4-fluorophenyl)-2-oxo-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-3-carboxamide)

C100H65Cl2F5N16O12 — CID 159611969

IUPACN-[2-chloro-6-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;N-[2-chloro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;bis(1-(4-fluorophenyl)-2-oxo-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-3-carboxamide)
SMILESO=C(Nc1c(F)cc(Oc2ccnc3[nH]ccc23)cc1Cl)c1cccn(-c2ccc(F)cc2)c1=O.O=C(Nc1ccc(Oc2ccnc3[nH]ccc23)cc1)c1cccn(-c2ccc(F)cc2)c1=O.O=C(Nc1ccc(Oc2ccnc3[nH]ccc23)cc1)c1cccn(-c2ccc(F)cc2)c1=O.O=C(Nc1ccc(Oc2ccnc3[nH]ccc23)cc1Cl)c1cccn(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C25H15ClF2N4O3.C25H16ClFN4O3.2C25H17FN4O3/c26-19-12-16(35-21-8-10-30-23-17(21)7-9-29-23)13-20(28)22(19)31-24(33)18-2-1-11-32(25(18)34)15-5-3-14(27)4-6-15;26-20-14-17(34-22-10-12-29-23-18(22)9-11-28-23)7-8-21(20)30-24(32)19-2-1-13-31(25(19)33)16-5-3-15(27)4-6-16;2*26-16-3-7-18(8-4-16)30-15-1-2-21(25(30)32)24(31)29-17-5-9-19(10-6-17)33-22-12-14-28-23-20(22)11-13-27-23/h1-13H,(H,29,30)(H,31,33);1-14H,(H,28,29)(H,30,32);2*1-15H,(H,27,28)(H,29,31)
InChIKeyMMURLLYECUFRBR-UHFFFAOYSA-N
MW1848.62 g/mol
LogP21.04
Rot. Bonds20

About N-[2-chloro-6-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;N-[2-chloro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;bis(1-(4-fluorophenyl)-2-oxo-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-3-carboxamide)

N-[2-chloro-6-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;N-[2-chloro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;bis(1-(4-fluorophenyl)-2-oxo-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-3-carboxamide) (PubChem CID 159611969) has the molecular formula C100H65Cl2F5N16O12 and a molecular weight of 1848.62 g/mol. Its IUPAC name is N-[2-chloro-6-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;N-[2-chloro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;bis(1-(4-fluorophenyl)-2-oxo-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-3-carboxamide).

Molecular Properties

Compound NameN-[2-chloro-6-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;N-[2-chloro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;bis(1-(4-fluorophenyl)-2-oxo-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-3-carboxamide)
PubChem CID159611969
Molecular FormulaC100H65Cl2F5N16O12
Molecular Weight1848.62 g/mol
Exact Mass1846.43
IUPAC NameN-[2-chloro-6-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;N-[2-chloro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;bis(1-(4-fluorophenyl)-2-oxo-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-3-carboxamide)
SMILESO=C(Nc1c(F)cc(Oc2ccnc3[nH]ccc23)cc1Cl)c1cccn(-c2ccc(F)cc2)c1=O.O=C(Nc1ccc(Oc2ccnc3[nH]ccc23)cc1)c1cccn(-c2ccc(F)cc2)c1=O.O=C(Nc1ccc(Oc2ccnc3[nH]ccc23)cc1)c1cccn(-c2ccc(F)cc2)c1=O.O=C(Nc1ccc(Oc2ccnc3[nH]ccc23)cc1Cl)c1cccn(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C25H15ClF2N4O3.C25H16ClFN4O3.2C25H17FN4O3/c26-19-12-16(35-21-8-10-30-23-17(21)7-9-29-23)13-20(28)22(19)31-24(33)18-2-1-11-32(25(18)34)15-5-3-14(27)4-6-15;26-20-14-17(34-22-10-12-29-23-18(22)9-11-28-23)7-8-21(20)30-24(32)19-2-1-13-31(25(19)33)16-5-3-15(27)4-6-16;2*26-16-3-7-18(8-4-16)30-15-1-2-21(25(30)32)24(31)29-17-5-9-19(10-6-17)33-22-12-14-28-23-20(22)11-13-27-23/h1-13H,(H,29,30)(H,31,33);1-14H,(H,28,29)(H,30,32);2*1-15H,(H,27,28)(H,29,31)
InChIKeyMMURLLYECUFRBR-UHFFFAOYSA-N
XLogP21.04
TPSA356.04 Ų
H-Bond Donors8
H-Bond Acceptors20
Rotatable Bonds20
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001848.62
LogP ≤ 521.04
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1020

Analyze N-[2-chloro-6-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;N-[2-chloro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;bis(1-(4-fluorophenyl)-2-oxo-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-3-carboxamide) with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-6-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;N-[2-chloro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;bis(1-(4-fluorophenyl)-2-oxo-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-3-carboxamide)?
The IUPAC name of N-[2-chloro-6-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;N-[2-chloro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;bis(1-(4-fluorophenyl)-2-oxo-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-3-carboxamide) (CID 159611969) is N-[2-chloro-6-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;N-[2-chloro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;bis(1-(4-fluorophenyl)-2-oxo-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-3-carboxamide).
What is the SMILES notation for N-[2-chloro-6-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;N-[2-chloro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;bis(1-(4-fluorophenyl)-2-oxo-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-3-carboxamide)?
The canonical SMILES for N-[2-chloro-6-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;N-[2-chloro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;bis(1-(4-fluorophenyl)-2-oxo-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-3-carboxamide) is O=C(Nc1c(F)cc(Oc2ccnc3[nH]ccc23)cc1Cl)c1cccn(-c2ccc(F)cc2)c1=O.O=C(Nc1ccc(Oc2ccnc3[nH]ccc23)cc1)c1cccn(-c2ccc(F)cc2)c1=O.O=C(Nc1ccc(Oc2ccnc3[nH]ccc23)cc1)c1cccn(-c2ccc(F)cc2)c1=O.O=C(Nc1ccc(Oc2ccnc3[nH]ccc23)cc1Cl)c1cccn(-c2ccc(F)cc2)c1=O.
What is the InChIKey of N-[2-chloro-6-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;N-[2-chloro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;bis(1-(4-fluorophenyl)-2-oxo-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-3-carboxamide)?
The InChIKey is MMURLLYECUFRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15ClF2N4O3.C25H16ClFN4O3.2C25H17FN4O3/c26-19-12-16(35-21-8-10-30-23-17(21)7-9-29-23)13-20(28)22(19)31-24(33)18-2-1-11-32(25(18)34)15-5-3-14(27)4-6-15;26-20-14-17(34-22-10-12-29-23-18(22)9-11-28-23)7-8-21(20)30-24(32)19-2-1-13-31(25(19)33)16-5-3-15(27)4-6-16;2*26-16-3-7-18(8-4-16)30-15-1-2-21(25(30)32)24(31)29-17-5-9-19(10-6-17)33-22-12-14-28-23-20(22)11-13-27-23/h1-13H,(H,29,30)(H,31,33);1-14H,(H,28,29)(H,30,32);2*1-15H,(H,27,28)(H,29,31).
What are the key properties of N-[2-chloro-6-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;N-[2-chloro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;bis(1-(4-fluorophenyl)-2-oxo-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-3-carboxamide)?
N-[2-chloro-6-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;N-[2-chloro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;bis(1-(4-fluorophenyl)-2-oxo-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-3-carboxamide) has a molecular weight of 1848.62 g/mol, XLogP of 21.04, 20 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-6-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;N-[2-chloro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;bis(1-(4-fluorophenyl)-2-oxo-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-3-carboxamide) is sourced from PubChem (CID 159611969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).