4-[5-[(6-amino-3-pyridinyl)oxy]-2-fluorophenyl]-1,3-dimethylpyrazole-5-carboxamide

C17H16FN5O2 — CID 68738417

IUPAC4-[5-[(6-amino-3-pyridinyl)oxy]-2-fluorophenyl]-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(N)=O)c1-c1cc(Oc2ccc(N)nc2)ccc1F
InChIInChI=1S/C17H16FN5O2/c1-9-15(16(17(20)24)23(2)22-9)12-7-10(3-5-13(12)18)25-11-4-6-14(19)21-8-11/h3-8H,1-2H3,(H2,19,21)(H2,20,24)
InChIKeyNCTOIMBRRMJBRV-UHFFFAOYSA-N
MW341.35 g/mol
LogP2.40
Rot. Bonds4

About 4-[5-[(6-amino-3-pyridinyl)oxy]-2-fluorophenyl]-1,3-dimethylpyrazole-5-carboxamide

4-[5-[(6-amino-3-pyridinyl)oxy]-2-fluorophenyl]-1,3-dimethylpyrazole-5-carboxamide (PubChem CID 68738417) has the molecular formula C17H16FN5O2 and a molecular weight of 341.35 g/mol. Its IUPAC name is 4-[5-[(6-amino-3-pyridinyl)oxy]-2-fluorophenyl]-1,3-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[5-[(6-amino-3-pyridinyl)oxy]-2-fluorophenyl]-1,3-dimethylpyrazole-5-carboxamide
PubChem CID68738417
Molecular FormulaC17H16FN5O2
Molecular Weight341.35 g/mol
Exact Mass341.13
IUPAC Name4-[5-[(6-amino-3-pyridinyl)oxy]-2-fluorophenyl]-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(N)=O)c1-c1cc(Oc2ccc(N)nc2)ccc1F
InChIInChI=1S/C17H16FN5O2/c1-9-15(16(17(20)24)23(2)22-9)12-7-10(3-5-13(12)18)25-11-4-6-14(19)21-8-11/h3-8H,1-2H3,(H2,19,21)(H2,20,24)
InChIKeyNCTOIMBRRMJBRV-UHFFFAOYSA-N
XLogP2.40
TPSA109.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-[(1S)-1-(2-chloro-3-fluoro-6-methoxyphenyl)ethyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-dimethylpyrazole-5-carboxamide
CID 54674989
2-amino-4-fluoro-5-[(6-methyl-3-pyridinyl)oxy]benzamide
CID 62059169
5-[2-methyl-5-(2-methyltetrazol-5-yl)oxyphenyl]pyridin-2-amine
CID 71010174
5-[[2-(1-methylimidazol-4-yl)-4-pyridinyl]oxy]pyridin-2-amine
CID 90403299
5-[4-(4-methylphenyl)phenoxy]pyridin-2-amine
CID 145045214
5-[[2-(1-methyl-1,2,4-triazol-3-yl)-4-pyridinyl]oxy]pyridin-2-amine
CID 166069028
4-(2-butoxy-4-fluorophenyl)-1,3-dimethylpyrazole-5-carboxylic acid
CID 122572212
5-(3-tert-butylphenoxy)pyridin-2-amine
CID 43351773
(4-chlorophenyl) 3-amino-1-methylpyrazole-5-carboxylate
CID 117218391
4-fluoro-3-(1,3,5-trimethylpyrazol-4-yl)benzaldehyde
CID 54910083
1,3-dimethyl-5-[2-phenyl-6-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 174542850
4-amino-N-(2,5-difluorophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66121252

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(6-amino-3-pyridinyl)oxy]-2-fluorophenyl]-1,3-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-[5-[(6-amino-3-pyridinyl)oxy]-2-fluorophenyl]-1,3-dimethylpyrazole-5-carboxamide (CID 68738417) is 4-[5-[(6-amino-3-pyridinyl)oxy]-2-fluorophenyl]-1,3-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-[5-[(6-amino-3-pyridinyl)oxy]-2-fluorophenyl]-1,3-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-[5-[(6-amino-3-pyridinyl)oxy]-2-fluorophenyl]-1,3-dimethylpyrazole-5-carboxamide is Cc1nn(C)c(C(N)=O)c1-c1cc(Oc2ccc(N)nc2)ccc1F.
What is the InChIKey of 4-[5-[(6-amino-3-pyridinyl)oxy]-2-fluorophenyl]-1,3-dimethylpyrazole-5-carboxamide?
The InChIKey is NCTOIMBRRMJBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O2/c1-9-15(16(17(20)24)23(2)22-9)12-7-10(3-5-13(12)18)25-11-4-6-14(19)21-8-11/h3-8H,1-2H3,(H2,19,21)(H2,20,24).
What are the key properties of 4-[5-[(6-amino-3-pyridinyl)oxy]-2-fluorophenyl]-1,3-dimethylpyrazole-5-carboxamide?
4-[5-[(6-amino-3-pyridinyl)oxy]-2-fluorophenyl]-1,3-dimethylpyrazole-5-carboxamide has a molecular weight of 341.35 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(6-amino-3-pyridinyl)oxy]-2-fluorophenyl]-1,3-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 68738417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).