4-chloro-N-(pyridazin-3-ylmethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-amine

C19H14ClF3N6 — CID 146329941

IUPAC4-chloro-N-(pyridazin-3-ylmethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-amine
SMILESFC(F)(F)c1ccc(Cn2nc(NCc3cccnn3)c3c(Cl)cncc32)cc1
InChIInChI=1S/C19H14ClF3N6/c20-15-9-24-10-16-17(15)18(25-8-14-2-1-7-26-27-14)28-29(16)11-12-3-5-13(6-4-12)19(21,22)23/h1-7,9-10H,8,11H2,(H,25,28)
InChIKeyOHBZDWKGZQCERZ-UHFFFAOYSA-N
MW418.81 g/mol
LogP4.55
Rot. Bonds5

About 4-chloro-N-(pyridazin-3-ylmethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-amine

4-chloro-N-(pyridazin-3-ylmethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-amine (PubChem CID 146329941) has the molecular formula C19H14ClF3N6 and a molecular weight of 418.81 g/mol. Its IUPAC name is 4-chloro-N-(pyridazin-3-ylmethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-amine.

Molecular Properties

Compound Name4-chloro-N-(pyridazin-3-ylmethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-amine
PubChem CID146329941
Molecular FormulaC19H14ClF3N6
Molecular Weight418.81 g/mol
Exact Mass418.09
IUPAC Name4-chloro-N-(pyridazin-3-ylmethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-amine
SMILESFC(F)(F)c1ccc(Cn2nc(NCc3cccnn3)c3c(Cl)cncc32)cc1
InChIInChI=1S/C19H14ClF3N6/c20-15-9-24-10-16-17(15)18(25-8-14-2-1-7-26-27-14)28-29(16)11-12-3-5-13(6-4-12)19(21,22)23/h1-7,9-10H,8,11H2,(H,25,28)
InChIKeyOHBZDWKGZQCERZ-UHFFFAOYSA-N
XLogP4.55
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.81
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-chloro-N-(pyridazin-3-ylmethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-amine with MolForge

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Related Compounds

N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]acetamide
CID 118335555
N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]propanamide
CID 118453543
N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]butanamide
CID 118453550
N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]furan-3-carboxamide
CID 118335335
N-(pyridazin-3-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 106896541
2-bromo-N-(pyridazin-3-ylmethyl)-4-(trifluoromethyl)aniline
CID 106896638
1-benzyl-4-chloropyrazolo[3,4-c]pyridin-3-amine
CID 118463415
2-tert-butyl-N-(pyridazin-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 106896589
5-bromo-2-chloro-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine
CID 106897361
3,5-dichloro-2-N-propyl-6-N-(pyridazin-3-ylmethyl)pyridine-2,6-diamine
CID 106898227
N-[4-chloro-1-[[4-(fluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylfuran-3-carboxamide
CID 129202997
N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-3-amine;dihydrochloride
CID 71432458

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(pyridazin-3-ylmethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-amine?
The IUPAC name of 4-chloro-N-(pyridazin-3-ylmethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-amine (CID 146329941) is 4-chloro-N-(pyridazin-3-ylmethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-amine.
What is the SMILES notation for 4-chloro-N-(pyridazin-3-ylmethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-amine?
The canonical SMILES for 4-chloro-N-(pyridazin-3-ylmethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-amine is FC(F)(F)c1ccc(Cn2nc(NCc3cccnn3)c3c(Cl)cncc32)cc1.
What is the InChIKey of 4-chloro-N-(pyridazin-3-ylmethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-amine?
The InChIKey is OHBZDWKGZQCERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3N6/c20-15-9-24-10-16-17(15)18(25-8-14-2-1-7-26-27-14)28-29(16)11-12-3-5-13(6-4-12)19(21,22)23/h1-7,9-10H,8,11H2,(H,25,28).
What are the key properties of 4-chloro-N-(pyridazin-3-ylmethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-amine?
4-chloro-N-(pyridazin-3-ylmethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-amine has a molecular weight of 418.81 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(pyridazin-3-ylmethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-amine is sourced from PubChem (CID 146329941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).