6-(difluoromethoxy)-5-fluoro-N-[(3-methyl-2H-indazol-4-yl)methyl]pyridine-3-carboxamide

C16H13F3N4O2 — CID 137453534

IUPAC6-(difluoromethoxy)-5-fluoro-N-[(3-methyl-2H-indazol-4-yl)methyl]pyridine-3-carboxamide
SMILESCc1[nH]nc2cccc(CNC(=O)c3cnc(OC(F)F)c(F)c3)c12
InChIInChI=1S/C16H13F3N4O2/c1-8-13-9(3-2-4-12(13)23-22-8)6-20-14(24)10-5-11(17)15(21-7-10)25-16(18)19/h2-5,7,16H,6H2,1H3,(H,20,24)(H,22,23)
InChIKeyPPGAXOFLGUKIKV-UHFFFAOYSA-N
MW350.30 g/mol
LogP2.94
Rot. Bonds5

About 6-(difluoromethoxy)-5-fluoro-N-[(3-methyl-2H-indazol-4-yl)methyl]pyridine-3-carboxamide

6-(difluoromethoxy)-5-fluoro-N-[(3-methyl-2H-indazol-4-yl)methyl]pyridine-3-carboxamide (PubChem CID 137453534) has the molecular formula C16H13F3N4O2 and a molecular weight of 350.30 g/mol. Its IUPAC name is 6-(difluoromethoxy)-5-fluoro-N-[(3-methyl-2H-indazol-4-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(difluoromethoxy)-5-fluoro-N-[(3-methyl-2H-indazol-4-yl)methyl]pyridine-3-carboxamide
PubChem CID137453534
Molecular FormulaC16H13F3N4O2
Molecular Weight350.30 g/mol
Exact Mass350.10
IUPAC Name6-(difluoromethoxy)-5-fluoro-N-[(3-methyl-2H-indazol-4-yl)methyl]pyridine-3-carboxamide
SMILESCc1[nH]nc2cccc(CNC(=O)c3cnc(OC(F)F)c(F)c3)c12
InChIInChI=1S/C16H13F3N4O2/c1-8-13-9(3-2-4-12(13)23-22-8)6-20-14(24)10-5-11(17)15(21-7-10)25-16(18)19/h2-5,7,16H,6H2,1H3,(H,20,24)(H,22,23)
InChIKeyPPGAXOFLGUKIKV-UHFFFAOYSA-N
XLogP2.94
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-bromo-2-methoxyphenyl)methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide
CID 154659672
6-(difluoromethoxy)-N-[(4-ethoxy-5-fluoro-3-pyridinyl)methyl]-5-fluoropyridine-3-carboxamide
CID 166012076
6-(difluoromethoxy)-5-fluoro-N-[(5-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 166012081
6-(difluoromethoxy)-5-fluoro-N-[(5-methyltriazolo[1,5-b]pyridazin-3-yl)methyl]pyridine-3-carboxamide
CID 139532950
N-[(5-cyano-2-methylphenyl)methyl]-5-fluoro-6-(1-fluoroethoxy)pyridine-3-carboxamide
CID 166863644
N-[[4-(3,3-difluorocyclobutyl)pyrimidin-5-yl]methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide
CID 166012116
5-fluoro-6-methoxy-N-[(5-methyl-2H-benzotriazol-4-yl)methyl]pyridine-3-carboxamide
CID 142522029
N-[(3-cyano-5-methoxyphenyl)methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide
CID 162392014
N-[(Z)-3-amino-4,4-difluoro-2-pyridazin-3-ylbut-2-enyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide
CID 153348287
N-[[2-(difluoromethoxy)phenyl]methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 41369321
N-[(2-fluorophenyl)methyl]-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109255942
4-(difluoromethoxy)-3,5-difluoro-N-[(4-methoxypyrimidin-5-yl)methyl]benzamide
CID 166012158

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethoxy)-5-fluoro-N-[(3-methyl-2H-indazol-4-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-(difluoromethoxy)-5-fluoro-N-[(3-methyl-2H-indazol-4-yl)methyl]pyridine-3-carboxamide (CID 137453534) is 6-(difluoromethoxy)-5-fluoro-N-[(3-methyl-2H-indazol-4-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(difluoromethoxy)-5-fluoro-N-[(3-methyl-2H-indazol-4-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(difluoromethoxy)-5-fluoro-N-[(3-methyl-2H-indazol-4-yl)methyl]pyridine-3-carboxamide is Cc1[nH]nc2cccc(CNC(=O)c3cnc(OC(F)F)c(F)c3)c12.
What is the InChIKey of 6-(difluoromethoxy)-5-fluoro-N-[(3-methyl-2H-indazol-4-yl)methyl]pyridine-3-carboxamide?
The InChIKey is PPGAXOFLGUKIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O2/c1-8-13-9(3-2-4-12(13)23-22-8)6-20-14(24)10-5-11(17)15(21-7-10)25-16(18)19/h2-5,7,16H,6H2,1H3,(H,20,24)(H,22,23).
What are the key properties of 6-(difluoromethoxy)-5-fluoro-N-[(3-methyl-2H-indazol-4-yl)methyl]pyridine-3-carboxamide?
6-(difluoromethoxy)-5-fluoro-N-[(3-methyl-2H-indazol-4-yl)methyl]pyridine-3-carboxamide has a molecular weight of 350.30 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethoxy)-5-fluoro-N-[(3-methyl-2H-indazol-4-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 137453534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).