2-(3,5-dichloro-1,2-dihydropyridin-6-yl)-6-(difluoromethyl)-4-(trifluoromethyl)pyrazolo[4,3-c]pyridin-3-amine

C13H8Cl2F5N5 — CID 144685278

IUPAC2-(3,5-dichloro-1,2-dihydropyridin-6-yl)-6-(difluoromethyl)-4-(trifluoromethyl)pyrazolo[4,3-c]pyridin-3-amine
SMILESNc1c2c(C(F)(F)F)nc(C(F)F)cc2nn1C1=C(Cl)C=C(Cl)CN1
InChIInChI=1S/C13H8Cl2F5N5/c14-4-1-5(15)12(22-3-4)25-11(21)8-6(24-25)2-7(10(16)17)23-9(8)13(18,19)20/h1-2,10,22H,3,21H2
InChIKeyKQGGJMNJLRMZAM-UHFFFAOYSA-N
MW400.14 g/mol
LogP4.06
Rot. Bonds2

About 2-(3,5-dichloro-1,2-dihydropyridin-6-yl)-6-(difluoromethyl)-4-(trifluoromethyl)pyrazolo[4,3-c]pyridin-3-amine

2-(3,5-dichloro-1,2-dihydropyridin-6-yl)-6-(difluoromethyl)-4-(trifluoromethyl)pyrazolo[4,3-c]pyridin-3-amine (PubChem CID 144685278) has the molecular formula C13H8Cl2F5N5 and a molecular weight of 400.14 g/mol. Its IUPAC name is 2-(3,5-dichloro-1,2-dihydropyridin-6-yl)-6-(difluoromethyl)-4-(trifluoromethyl)pyrazolo[4,3-c]pyridin-3-amine.

Molecular Properties

Compound Name2-(3,5-dichloro-1,2-dihydropyridin-6-yl)-6-(difluoromethyl)-4-(trifluoromethyl)pyrazolo[4,3-c]pyridin-3-amine
PubChem CID144685278
Molecular FormulaC13H8Cl2F5N5
Molecular Weight400.14 g/mol
Exact Mass399.01
IUPAC Name2-(3,5-dichloro-1,2-dihydropyridin-6-yl)-6-(difluoromethyl)-4-(trifluoromethyl)pyrazolo[4,3-c]pyridin-3-amine
SMILESNc1c2c(C(F)(F)F)nc(C(F)F)cc2nn1C1=C(Cl)C=C(Cl)CN1
InChIInChI=1S/C13H8Cl2F5N5/c14-4-1-5(15)12(22-3-4)25-11(21)8-6(24-25)2-7(10(16)17)23-9(8)13(18,19)20/h1-2,10,22H,3,21H2
InChIKeyKQGGJMNJLRMZAM-UHFFFAOYSA-N
XLogP4.06
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.14
LogP ≤ 54.06
H-Bond Donors ≤ 52
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-[2-chloro-4-(trifluoromethyl)phenyl]-6-methyl-4-(trifluoromethyl)pyrazolo[4,3-c]pyridin-3-amine
CID 123368703
4,6-bis(trifluoromethyl)-2-[3-(trifluoromethyl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-3-amine
CID 123192158
2-(2,4,6-trichlorophenyl)-4,6-bis(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-3-amine
CID 77050656
2-chloro-6-(difluoromethyl)-4-(trifluoromethyl)pyridine
CID 119003399
6-(difluoromethyl)-2-(trifluoromethyl)pyridin-3-amine
CID 130094791
6-(difluoromethyl)-4-fluoro-3-methyl-2-(trifluoromethyl)pyridine
CID 133105555
[6-(difluoromethyl)-3-iodo-2-(trifluoromethyl)-4-pyridinyl]methanamine
CID 130086829
[3-(difluoromethyl)-6-fluoro-2-(trifluoromethyl)-4-pyridinyl]methanamine
CID 130081572
4-(chloromethyl)-6-(difluoromethyl)-3-iodo-2-(trifluoromethyl)pyridine
CID 130087399
4-bromo-6-(difluoromethyl)-2-(trifluoromethyl)pyridin-3-ol
CID 118839692
6-chloro-4-(difluoromethyl)-2-(trifluoromethyl)pyridin-3-amine
CID 130102782

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-1,2-dihydropyridin-6-yl)-6-(difluoromethyl)-4-(trifluoromethyl)pyrazolo[4,3-c]pyridin-3-amine?
The IUPAC name of 2-(3,5-dichloro-1,2-dihydropyridin-6-yl)-6-(difluoromethyl)-4-(trifluoromethyl)pyrazolo[4,3-c]pyridin-3-amine (CID 144685278) is 2-(3,5-dichloro-1,2-dihydropyridin-6-yl)-6-(difluoromethyl)-4-(trifluoromethyl)pyrazolo[4,3-c]pyridin-3-amine.
What is the SMILES notation for 2-(3,5-dichloro-1,2-dihydropyridin-6-yl)-6-(difluoromethyl)-4-(trifluoromethyl)pyrazolo[4,3-c]pyridin-3-amine?
The canonical SMILES for 2-(3,5-dichloro-1,2-dihydropyridin-6-yl)-6-(difluoromethyl)-4-(trifluoromethyl)pyrazolo[4,3-c]pyridin-3-amine is Nc1c2c(C(F)(F)F)nc(C(F)F)cc2nn1C1=C(Cl)C=C(Cl)CN1.
What is the InChIKey of 2-(3,5-dichloro-1,2-dihydropyridin-6-yl)-6-(difluoromethyl)-4-(trifluoromethyl)pyrazolo[4,3-c]pyridin-3-amine?
The InChIKey is KQGGJMNJLRMZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2F5N5/c14-4-1-5(15)12(22-3-4)25-11(21)8-6(24-25)2-7(10(16)17)23-9(8)13(18,19)20/h1-2,10,22H,3,21H2.
What are the key properties of 2-(3,5-dichloro-1,2-dihydropyridin-6-yl)-6-(difluoromethyl)-4-(trifluoromethyl)pyrazolo[4,3-c]pyridin-3-amine?
2-(3,5-dichloro-1,2-dihydropyridin-6-yl)-6-(difluoromethyl)-4-(trifluoromethyl)pyrazolo[4,3-c]pyridin-3-amine has a molecular weight of 400.14 g/mol, XLogP of 4.06, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-1,2-dihydropyridin-6-yl)-6-(difluoromethyl)-4-(trifluoromethyl)pyrazolo[4,3-c]pyridin-3-amine is sourced from PubChem (CID 144685278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).