5-fluoro-N-[5-[2-methoxy-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide

C22H19FN6O2 — CID 70977988

IUPAC5-fluoro-N-[5-[2-methoxy-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide
SMILESCOc1ccc(-c2cnn(C)c2)cc1-c1cnc(NC(=O)c2cncc(F)c2C)cn1
InChIInChI=1S/C22H19FN6O2/c1-13-17(8-24-9-18(13)23)22(30)28-21-11-25-19(10-26-21)16-6-14(4-5-20(16)31-3)15-7-27-29(2)12-15/h4-12H,1-3H3,(H,26,28,30)
InChIKeyFNZBNHCFCGJOJX-UHFFFAOYSA-N
MW418.43 g/mol
LogP3.65
Rot. Bonds5

About 5-fluoro-N-[5-[2-methoxy-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide

5-fluoro-N-[5-[2-methoxy-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide (PubChem CID 70977988) has the molecular formula C22H19FN6O2 and a molecular weight of 418.43 g/mol. Its IUPAC name is 5-fluoro-N-[5-[2-methoxy-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[5-[2-methoxy-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide
PubChem CID70977988
Molecular FormulaC22H19FN6O2
Molecular Weight418.43 g/mol
Exact Mass418.16
IUPAC Name5-fluoro-N-[5-[2-methoxy-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide
SMILESCOc1ccc(-c2cnn(C)c2)cc1-c1cnc(NC(=O)c2cncc(F)c2C)cn1
InChIInChI=1S/C22H19FN6O2/c1-13-17(8-24-9-18(13)23)22(30)28-21-11-25-19(10-26-21)16-6-14(4-5-20(16)31-3)15-7-27-29(2)12-15/h4-12H,1-3H3,(H,26,28,30)
InChIKeyFNZBNHCFCGJOJX-UHFFFAOYSA-N
XLogP3.65
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

15-[1-[2-(Dimethylamino)ethyl]pyrazol-4-yl]-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one
CID 142411827
US10344025, Example 255
CID 118627264
US10774086, Example 24
CID 139465947
Pyrazole scaffold, 16
CID 25218470
N-[6-(3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]-2-(4-methoxyphenyl)acetamide
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N-[5-(furan-2-yl)-2-pyridinyl]-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide
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CID 66720148
6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(2-methylpyrazol-3-yl)anilino]-N-methylpyridine-3-carboxamide
CID 90153820
6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]-N-methylpyridine-3-carboxamide
CID 90153821
N-((1-(3,5-Dimethoxybenzyl)-1H-1,2,3-triazol-4-yl)methyl)-2-(4-fluorophenylamino)nicotinamide
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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[5-[2-methoxy-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide?
The IUPAC name of 5-fluoro-N-[5-[2-methoxy-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide (CID 70977988) is 5-fluoro-N-[5-[2-methoxy-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-N-[5-[2-methoxy-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-N-[5-[2-methoxy-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide is COc1ccc(-c2cnn(C)c2)cc1-c1cnc(NC(=O)c2cncc(F)c2C)cn1.
What is the InChIKey of 5-fluoro-N-[5-[2-methoxy-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide?
The InChIKey is FNZBNHCFCGJOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6O2/c1-13-17(8-24-9-18(13)23)22(30)28-21-11-25-19(10-26-21)16-6-14(4-5-20(16)31-3)15-7-27-29(2)12-15/h4-12H,1-3H3,(H,26,28,30).
What are the key properties of 5-fluoro-N-[5-[2-methoxy-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide?
5-fluoro-N-[5-[2-methoxy-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide has a molecular weight of 418.43 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[5-[2-methoxy-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 70977988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).