4-(2-fluoro-4-(111C)methoxyphenyl)-5-[(1-methylpyrazol-3-yl)methoxy]pyridine-2-carboxamide

C18H17FN4O3 — CID 166627672

IUPAC4-(2-fluoro-4-(111C)methoxyphenyl)-5-[(1-methylpyrazol-3-yl)methoxy]pyridine-2-carboxamide
SMILESCn1ccc(COc2cnc(C(N)=O)cc2-c2ccc(O[11CH3])cc2F)n1
InChIInChI=1S/C18H17FN4O3/c1-23-6-5-11(22-23)10-26-17-9-21-16(18(20)24)8-14(17)13-4-3-12(25-2)7-15(13)19/h3-9H,10H2,1-2H3,(H2,20,24)/i2-1
InChIKeyQUFAWZGCOGDDLF-JVVVGQRLSA-N
MW355.36 g/mol
LogP2.31
Rot. Bonds6

About 4-(2-fluoro-4-(111C)methoxyphenyl)-5-[(1-methylpyrazol-3-yl)methoxy]pyridine-2-carboxamide

4-(2-fluoro-4-(111C)methoxyphenyl)-5-[(1-methylpyrazol-3-yl)methoxy]pyridine-2-carboxamide (PubChem CID 166627672) has the molecular formula C18H17FN4O3 and a molecular weight of 355.36 g/mol. Its IUPAC name is 4-(2-fluoro-4-(111C)methoxyphenyl)-5-[(1-methylpyrazol-3-yl)methoxy]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2-fluoro-4-(111C)methoxyphenyl)-5-[(1-methylpyrazol-3-yl)methoxy]pyridine-2-carboxamide
PubChem CID166627672
Molecular FormulaC18H17FN4O3
Molecular Weight355.36 g/mol
Exact Mass355.14
IUPAC Name4-(2-fluoro-4-(111C)methoxyphenyl)-5-[(1-methylpyrazol-3-yl)methoxy]pyridine-2-carboxamide
SMILESCn1ccc(COc2cnc(C(N)=O)cc2-c2ccc(O[11CH3])cc2F)n1
InChIInChI=1S/C18H17FN4O3/c1-23-6-5-11(22-23)10-26-17-9-21-16(18(20)24)8-14(17)13-4-3-12(25-2)7-15(13)19/h3-9H,10H2,1-2H3,(H2,20,24)/i2-1
InChIKeyQUFAWZGCOGDDLF-JVVVGQRLSA-N
XLogP2.31
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-(111C)methoxyphenyl)-5-[(1-methylpyrazol-3-yl)methoxy]pyridine-2-carboxamide?
The IUPAC name of 4-(2-fluoro-4-(111C)methoxyphenyl)-5-[(1-methylpyrazol-3-yl)methoxy]pyridine-2-carboxamide (CID 166627672) is 4-(2-fluoro-4-(111C)methoxyphenyl)-5-[(1-methylpyrazol-3-yl)methoxy]pyridine-2-carboxamide.
What is the SMILES notation for 4-(2-fluoro-4-(111C)methoxyphenyl)-5-[(1-methylpyrazol-3-yl)methoxy]pyridine-2-carboxamide?
The canonical SMILES for 4-(2-fluoro-4-(111C)methoxyphenyl)-5-[(1-methylpyrazol-3-yl)methoxy]pyridine-2-carboxamide is Cn1ccc(COc2cnc(C(N)=O)cc2-c2ccc(O[11CH3])cc2F)n1.
What is the InChIKey of 4-(2-fluoro-4-(111C)methoxyphenyl)-5-[(1-methylpyrazol-3-yl)methoxy]pyridine-2-carboxamide?
The InChIKey is QUFAWZGCOGDDLF-JVVVGQRLSA-N. The full InChI is InChI=1S/C18H17FN4O3/c1-23-6-5-11(22-23)10-26-17-9-21-16(18(20)24)8-14(17)13-4-3-12(25-2)7-15(13)19/h3-9H,10H2,1-2H3,(H2,20,24)/i2-1.
What are the key properties of 4-(2-fluoro-4-(111C)methoxyphenyl)-5-[(1-methylpyrazol-3-yl)methoxy]pyridine-2-carboxamide?
4-(2-fluoro-4-(111C)methoxyphenyl)-5-[(1-methylpyrazol-3-yl)methoxy]pyridine-2-carboxamide has a molecular weight of 355.36 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-(111C)methoxyphenyl)-5-[(1-methylpyrazol-3-yl)methoxy]pyridine-2-carboxamide is sourced from PubChem (CID 166627672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).