N-(2,6-difluorophenyl)-1-methyl-5-[4-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-3-pyridinyl]pyrazole-3-carboxamide

C22H19F2N5O3 — CID 118130786

IUPACN-(2,6-difluorophenyl)-1-methyl-5-[4-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-3-pyridinyl]pyrazole-3-carboxamide
SMILESCc1cc(COc2cc(C)c(-c3cc(C(=O)Nc4c(F)cccc4F)nn3C)cn2)no1
InChIInChI=1S/C22H19F2N5O3/c1-12-7-20(31-11-14-8-13(2)32-28-14)25-10-15(12)19-9-18(27-29(19)3)22(30)26-21-16(23)5-4-6-17(21)24/h4-10H,11H2,1-3H3,(H,26,30)
InChIKeyWKBBTFYWBJJBID-UHFFFAOYSA-N
MW439.42 g/mol
LogP4.20
Rot. Bonds6

About N-(2,6-difluorophenyl)-1-methyl-5-[4-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-3-pyridinyl]pyrazole-3-carboxamide

N-(2,6-difluorophenyl)-1-methyl-5-[4-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-3-pyridinyl]pyrazole-3-carboxamide (PubChem CID 118130786) has the molecular formula C22H19F2N5O3 and a molecular weight of 439.42 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-1-methyl-5-[4-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-3-pyridinyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-1-methyl-5-[4-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-3-pyridinyl]pyrazole-3-carboxamide
PubChem CID118130786
Molecular FormulaC22H19F2N5O3
Molecular Weight439.42 g/mol
Exact Mass439.15
IUPAC NameN-(2,6-difluorophenyl)-1-methyl-5-[4-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-3-pyridinyl]pyrazole-3-carboxamide
SMILESCc1cc(COc2cc(C)c(-c3cc(C(=O)Nc4c(F)cccc4F)nn3C)cn2)no1
InChIInChI=1S/C22H19F2N5O3/c1-12-7-20(31-11-14-8-13(2)32-28-14)25-10-15(12)19-9-18(27-29(19)3)22(30)26-21-16(23)5-4-6-17(21)24/h4-10H,11H2,1-3H3,(H,26,30)
InChIKeyWKBBTFYWBJJBID-UHFFFAOYSA-N
XLogP4.20
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.42
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-1-methyl-5-[4-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-3-pyridinyl]pyrazole-3-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-1-methyl-5-[4-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-3-pyridinyl]pyrazole-3-carboxamide (CID 118130786) is N-(2,6-difluorophenyl)-1-methyl-5-[4-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-3-pyridinyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-1-methyl-5-[4-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-3-pyridinyl]pyrazole-3-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-1-methyl-5-[4-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-3-pyridinyl]pyrazole-3-carboxamide is Cc1cc(COc2cc(C)c(-c3cc(C(=O)Nc4c(F)cccc4F)nn3C)cn2)no1.
What is the InChIKey of N-(2,6-difluorophenyl)-1-methyl-5-[4-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-3-pyridinyl]pyrazole-3-carboxamide?
The InChIKey is WKBBTFYWBJJBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N5O3/c1-12-7-20(31-11-14-8-13(2)32-28-14)25-10-15(12)19-9-18(27-29(19)3)22(30)26-21-16(23)5-4-6-17(21)24/h4-10H,11H2,1-3H3,(H,26,30).
What are the key properties of N-(2,6-difluorophenyl)-1-methyl-5-[4-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-3-pyridinyl]pyrazole-3-carboxamide?
N-(2,6-difluorophenyl)-1-methyl-5-[4-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-3-pyridinyl]pyrazole-3-carboxamide has a molecular weight of 439.42 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-1-methyl-5-[4-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-3-pyridinyl]pyrazole-3-carboxamide is sourced from PubChem (CID 118130786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).