3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3-ethoxyphenyl)pyridin-2-amine

C20H16F2N6O — CID 58179668

IUPAC3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3-ethoxyphenyl)pyridin-2-amine
SMILESCCOc1cccc(-c2cnc(N)c(-c3nnnn3-c3cccc(F)c3F)c2)c1
InChIInChI=1S/C20H16F2N6O/c1-2-29-14-6-3-5-12(9-14)13-10-15(19(23)24-11-13)20-25-26-27-28(20)17-8-4-7-16(21)18(17)22/h3-11H,2H2,1H3,(H2,23,24)
InChIKeyCHVPCLBXVKMYHU-UHFFFAOYSA-N
MW394.39 g/mol
LogP3.65
Rot. Bonds5

About 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3-ethoxyphenyl)pyridin-2-amine

3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3-ethoxyphenyl)pyridin-2-amine (PubChem CID 58179668) has the molecular formula C20H16F2N6O and a molecular weight of 394.39 g/mol. Its IUPAC name is 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3-ethoxyphenyl)pyridin-2-amine.

Molecular Properties

Compound Name3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3-ethoxyphenyl)pyridin-2-amine
PubChem CID58179668
Molecular FormulaC20H16F2N6O
Molecular Weight394.39 g/mol
Exact Mass394.14
IUPAC Name3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3-ethoxyphenyl)pyridin-2-amine
SMILESCCOc1cccc(-c2cnc(N)c(-c3nnnn3-c3cccc(F)c3F)c2)c1
InChIInChI=1S/C20H16F2N6O/c1-2-29-14-6-3-5-12(9-14)13-10-15(19(23)24-11-13)20-25-26-27-28(20)17-8-4-7-16(21)18(17)22/h3-11H,2H2,1H3,(H2,23,24)
InChIKeyCHVPCLBXVKMYHU-UHFFFAOYSA-N
XLogP3.65
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3,6-Bis(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 134179263
4-[3-(3-Methoxyphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329465
3-Fluoropropyl 4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl ether
CID 3692931
5-(3-Fluoro-4-methoxyphenyl)-6-methyl-3-phenylpyrazolo[1,5-a]pyrimidine
CID 4435429
2-(4-Methoxyphenyl)-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 754802
2-[2-(2''''-Ethoxy-5-fluoro-biphenyl-3-yl)-2H-tetrazol-5-yl]-pyridine
CID 10150237
5-(3-Methoxyphenyl)-7-phenyl-4-aminopyrrolo[2,3-d]pyrimidine
CID 15858662
4-(4-Fluorophenyl)-1-(4-methoxyphenyl)-3-pyridin-4-ylpyrazol-5-amine
CID 56950883
8-(2-Methoxyphenyl)-N-phenyl[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 57502377
4-N-[3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,4-diamine
CID 66598081
N-(4-methoxycyclohexyl)-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 66615233
N'-[3-(3-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine
CID 72546235

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3-ethoxyphenyl)pyridin-2-amine?
The IUPAC name of 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3-ethoxyphenyl)pyridin-2-amine (CID 58179668) is 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3-ethoxyphenyl)pyridin-2-amine.
What is the SMILES notation for 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3-ethoxyphenyl)pyridin-2-amine?
The canonical SMILES for 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3-ethoxyphenyl)pyridin-2-amine is CCOc1cccc(-c2cnc(N)c(-c3nnnn3-c3cccc(F)c3F)c2)c1.
What is the InChIKey of 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3-ethoxyphenyl)pyridin-2-amine?
The InChIKey is CHVPCLBXVKMYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N6O/c1-2-29-14-6-3-5-12(9-14)13-10-15(19(23)24-11-13)20-25-26-27-28(20)17-8-4-7-16(21)18(17)22/h3-11H,2H2,1H3,(H2,23,24).
What are the key properties of 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3-ethoxyphenyl)pyridin-2-amine?
3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3-ethoxyphenyl)pyridin-2-amine has a molecular weight of 394.39 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 3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3-ethoxyphenyl)pyridin-2-amine is sourced from PubChem (CID 58179668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).