N-[(2,6-difluorophenyl)methyl]-5-fluoro-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-3-amine

C17H12F6N4 — CID 71473914

IUPACN-[(2,6-difluorophenyl)methyl]-5-fluoro-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-3-amine
SMILESCn1nc(C(F)(F)F)cc1-c1ncc(NCc2c(F)cccc2F)cc1F
InChIInChI=1S/C17H12F6N4/c1-27-14(6-15(26-27)17(21,22)23)16-13(20)5-9(7-25-16)24-8-10-11(18)3-2-4-12(10)19/h2-7,24H,8H2,1H3
InChIKeyIGIIFRZHXUBQPE-UHFFFAOYSA-N
MW386.30 g/mol
LogP4.53
Rot. Bonds4

About N-[(2,6-difluorophenyl)methyl]-5-fluoro-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-3-amine

N-[(2,6-difluorophenyl)methyl]-5-fluoro-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-3-amine (PubChem CID 71473914) has the molecular formula C17H12F6N4 and a molecular weight of 386.30 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-5-fluoro-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-3-amine.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-5-fluoro-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-3-amine
PubChem CID71473914
Molecular FormulaC17H12F6N4
Molecular Weight386.30 g/mol
Exact Mass386.10
IUPAC NameN-[(2,6-difluorophenyl)methyl]-5-fluoro-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-3-amine
SMILESCn1nc(C(F)(F)F)cc1-c1ncc(NCc2c(F)cccc2F)cc1F
InChIInChI=1S/C17H12F6N4/c1-27-14(6-15(26-27)17(21,22)23)16-13(20)5-9(7-25-16)24-8-10-11(18)3-2-4-12(10)19/h2-7,24H,8H2,1H3
InChIKeyIGIIFRZHXUBQPE-UHFFFAOYSA-N
XLogP4.53
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.30
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-5-fluoro-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-3-amine?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-5-fluoro-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-3-amine (CID 71473914) is N-[(2,6-difluorophenyl)methyl]-5-fluoro-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-3-amine.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-5-fluoro-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-3-amine?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-5-fluoro-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-3-amine is Cn1nc(C(F)(F)F)cc1-c1ncc(NCc2c(F)cccc2F)cc1F.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-5-fluoro-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-3-amine?
The InChIKey is IGIIFRZHXUBQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F6N4/c1-27-14(6-15(26-27)17(21,22)23)16-13(20)5-9(7-25-16)24-8-10-11(18)3-2-4-12(10)19/h2-7,24H,8H2,1H3.
What are the key properties of N-[(2,6-difluorophenyl)methyl]-5-fluoro-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-3-amine?
N-[(2,6-difluorophenyl)methyl]-5-fluoro-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-3-amine has a molecular weight of 386.30 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-5-fluoro-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-3-amine is sourced from PubChem (CID 71473914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).