N-[5-[2-chloro-5-[(3-fluoro-2-pyridinyl)oxy]phenyl]pyrazin-2-yl]-6-methoxy-4-methylpyridine-3-carboxamide

C23H17ClFN5O3 — CID 70978266

IUPACN-[5-[2-chloro-5-[(3-fluoro-2-pyridinyl)oxy]phenyl]pyrazin-2-yl]-6-methoxy-4-methylpyridine-3-carboxamide
SMILESCOc1cc(C)c(C(=O)Nc2cnc(-c3cc(Oc4ncccc4F)ccc3Cl)cn2)cn1
InChIInChI=1S/C23H17ClFN5O3/c1-13-8-21(32-2)29-10-16(13)22(31)30-20-12-27-19(11-28-20)15-9-14(5-6-17(15)24)33-23-18(25)4-3-7-26-23/h3-12H,1-2H3,(H,28,30,31)
InChIKeyVPRJIXODIIDOOT-UHFFFAOYSA-N
MW465.87 g/mol
LogP5.09
Rot. Bonds6

About N-[5-[2-chloro-5-[(3-fluoro-2-pyridinyl)oxy]phenyl]pyrazin-2-yl]-6-methoxy-4-methylpyridine-3-carboxamide

N-[5-[2-chloro-5-[(3-fluoro-2-pyridinyl)oxy]phenyl]pyrazin-2-yl]-6-methoxy-4-methylpyridine-3-carboxamide (PubChem CID 70978266) has the molecular formula C23H17ClFN5O3 and a molecular weight of 465.87 g/mol. Its IUPAC name is N-[5-[2-chloro-5-[(3-fluoro-2-pyridinyl)oxy]phenyl]pyrazin-2-yl]-6-methoxy-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[2-chloro-5-[(3-fluoro-2-pyridinyl)oxy]phenyl]pyrazin-2-yl]-6-methoxy-4-methylpyridine-3-carboxamide
PubChem CID70978266
Molecular FormulaC23H17ClFN5O3
Molecular Weight465.87 g/mol
Exact Mass465.10
IUPAC NameN-[5-[2-chloro-5-[(3-fluoro-2-pyridinyl)oxy]phenyl]pyrazin-2-yl]-6-methoxy-4-methylpyridine-3-carboxamide
SMILESCOc1cc(C)c(C(=O)Nc2cnc(-c3cc(Oc4ncccc4F)ccc3Cl)cn2)cn1
InChIInChI=1S/C23H17ClFN5O3/c1-13-8-21(32-2)29-10-16(13)22(31)30-20-12-27-19(11-28-20)15-9-14(5-6-17(15)24)33-23-18(25)4-3-7-26-23/h3-12H,1-2H3,(H,28,30,31)
InChIKeyVPRJIXODIIDOOT-UHFFFAOYSA-N
XLogP5.09
TPSA99.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.87
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-chloro-5-[(3-fluoro-2-pyridinyl)oxy]phenyl]pyrazin-2-yl]-6-methoxy-4-methylpyridine-3-carboxamide?
The IUPAC name of N-[5-[2-chloro-5-[(3-fluoro-2-pyridinyl)oxy]phenyl]pyrazin-2-yl]-6-methoxy-4-methylpyridine-3-carboxamide (CID 70978266) is N-[5-[2-chloro-5-[(3-fluoro-2-pyridinyl)oxy]phenyl]pyrazin-2-yl]-6-methoxy-4-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[5-[2-chloro-5-[(3-fluoro-2-pyridinyl)oxy]phenyl]pyrazin-2-yl]-6-methoxy-4-methylpyridine-3-carboxamide?
The canonical SMILES for N-[5-[2-chloro-5-[(3-fluoro-2-pyridinyl)oxy]phenyl]pyrazin-2-yl]-6-methoxy-4-methylpyridine-3-carboxamide is COc1cc(C)c(C(=O)Nc2cnc(-c3cc(Oc4ncccc4F)ccc3Cl)cn2)cn1.
What is the InChIKey of N-[5-[2-chloro-5-[(3-fluoro-2-pyridinyl)oxy]phenyl]pyrazin-2-yl]-6-methoxy-4-methylpyridine-3-carboxamide?
The InChIKey is VPRJIXODIIDOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClFN5O3/c1-13-8-21(32-2)29-10-16(13)22(31)30-20-12-27-19(11-28-20)15-9-14(5-6-17(15)24)33-23-18(25)4-3-7-26-23/h3-12H,1-2H3,(H,28,30,31).
What are the key properties of N-[5-[2-chloro-5-[(3-fluoro-2-pyridinyl)oxy]phenyl]pyrazin-2-yl]-6-methoxy-4-methylpyridine-3-carboxamide?
N-[5-[2-chloro-5-[(3-fluoro-2-pyridinyl)oxy]phenyl]pyrazin-2-yl]-6-methoxy-4-methylpyridine-3-carboxamide has a molecular weight of 465.87 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-chloro-5-[(3-fluoro-2-pyridinyl)oxy]phenyl]pyrazin-2-yl]-6-methoxy-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 70978266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).