4,6-bis(trifluoromethyl)-2-[3-(trifluoromethyl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-3-amine

C14H6F9N5 — CID 123192158

IUPAC4,6-bis(trifluoromethyl)-2-[3-(trifluoromethyl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-3-amine
SMILESNc1c2c(C(F)(F)F)nc(C(F)(F)F)cc2nn1-c1ncccc1C(F)(F)F
InChIInChI=1S/C14H6F9N5/c15-12(16,17)5-2-1-3-25-11(5)28-10(24)8-6(27-28)4-7(13(18,19)20)26-9(8)14(21,22)23/h1-4H,24H2
InChIKeyVPAZZBCVOAUTJU-UHFFFAOYSA-N
MW415.22 g/mol
LogP4.45
Rot. Bonds1

About 4,6-bis(trifluoromethyl)-2-[3-(trifluoromethyl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-3-amine

4,6-bis(trifluoromethyl)-2-[3-(trifluoromethyl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-3-amine (PubChem CID 123192158) has the molecular formula C14H6F9N5 and a molecular weight of 415.22 g/mol. Its IUPAC name is 4,6-bis(trifluoromethyl)-2-[3-(trifluoromethyl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-3-amine.

Molecular Properties

Compound Name4,6-bis(trifluoromethyl)-2-[3-(trifluoromethyl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-3-amine
PubChem CID123192158
Molecular FormulaC14H6F9N5
Molecular Weight415.22 g/mol
Exact Mass415.05
IUPAC Name4,6-bis(trifluoromethyl)-2-[3-(trifluoromethyl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-3-amine
SMILESNc1c2c(C(F)(F)F)nc(C(F)(F)F)cc2nn1-c1ncccc1C(F)(F)F
InChIInChI=1S/C14H6F9N5/c15-12(16,17)5-2-1-3-25-11(5)28-10(24)8-6(27-28)4-7(13(18,19)20)26-9(8)14(21,22)23/h1-4H,24H2
InChIKeyVPAZZBCVOAUTJU-UHFFFAOYSA-N
XLogP4.45
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.22
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[chloro(difluoro)methyl]-2-(3,5-dichloro-2-pyridinyl)-4-(trifluoromethyl)pyrazolo[4,3-c]pyridin-3-amine
CID 123683083
2-(3,5-diethylpyrazol-1-yl)-3-(trifluoromethyl)pyridine
CID 82699986
2-pyrrol-1-yl-3-(trifluoromethyl)pyridine
CID 173026104
2,4-bis(trifluoromethyl)-1,8-naphthyridine
CID 165175632
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-3-amine
CID 19627794
3-[5-(trifluoromethyl)quinolin-8-yl]pyridine-2,6-diamine
CID 155778420
2,6-bis(trifluoromethyl)pyridin-3-amine
CID 131531494
6-piperidin-1-yl-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-amine
CID 70929943
3-(trifluoromethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyridin-2-one
CID 154630724
2-[2-chloro-4-(trifluoromethyl)phenyl]-6-methyl-4-(trifluoromethyl)pyrazolo[4,3-c]pyridin-3-amine
CID 123368703
6-methyl-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole;hydrochloride
CID 11661246
2-(4-chloropiperidin-1-yl)-3-(trifluoromethyl)pyridine
CID 63388486

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(trifluoromethyl)-2-[3-(trifluoromethyl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-3-amine?
The IUPAC name of 4,6-bis(trifluoromethyl)-2-[3-(trifluoromethyl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-3-amine (CID 123192158) is 4,6-bis(trifluoromethyl)-2-[3-(trifluoromethyl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-3-amine.
What is the SMILES notation for 4,6-bis(trifluoromethyl)-2-[3-(trifluoromethyl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-3-amine?
The canonical SMILES for 4,6-bis(trifluoromethyl)-2-[3-(trifluoromethyl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-3-amine is Nc1c2c(C(F)(F)F)nc(C(F)(F)F)cc2nn1-c1ncccc1C(F)(F)F.
What is the InChIKey of 4,6-bis(trifluoromethyl)-2-[3-(trifluoromethyl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-3-amine?
The InChIKey is VPAZZBCVOAUTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6F9N5/c15-12(16,17)5-2-1-3-25-11(5)28-10(24)8-6(27-28)4-7(13(18,19)20)26-9(8)14(21,22)23/h1-4H,24H2.
What are the key properties of 4,6-bis(trifluoromethyl)-2-[3-(trifluoromethyl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-3-amine?
4,6-bis(trifluoromethyl)-2-[3-(trifluoromethyl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-3-amine has a molecular weight of 415.22 g/mol, XLogP of 4.45, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(trifluoromethyl)-2-[3-(trifluoromethyl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-3-amine is sourced from PubChem (CID 123192158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).