5-[[[3,5-bis(trifluoromethyl)phenyl]methylamino]methyl]-N-(dicyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine

C25H27F6N5 — CID 57486844

IUPAC5-[[[3,5-bis(trifluoromethyl)phenyl]methylamino]methyl]-N-(dicyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine
SMILESCc1nn(C)c2nc(NC(C3CC3)C3CC3)c(CNCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc12
InChIInChI=1S/C25H27F6N5/c1-13-20-9-17(12-32-11-14-7-18(24(26,27)28)10-19(8-14)25(29,30)31)22(34-23(20)36(2)35-13)33-21(15-3-4-15)16-5-6-16/h7-10,15-16,21,32H,3-6,11-12H2,1-2H3,(H,33,34)
InChIKeyVKMVOQONBZLJLL-UHFFFAOYSA-N
MW511.51 g/mol
LogP6.20
Rot. Bonds8

About 5-[[[3,5-bis(trifluoromethyl)phenyl]methylamino]methyl]-N-(dicyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine

5-[[[3,5-bis(trifluoromethyl)phenyl]methylamino]methyl]-N-(dicyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine (PubChem CID 57486844) has the molecular formula C25H27F6N5 and a molecular weight of 511.51 g/mol. Its IUPAC name is 5-[[[3,5-bis(trifluoromethyl)phenyl]methylamino]methyl]-N-(dicyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine.

Molecular Properties

Compound Name5-[[[3,5-bis(trifluoromethyl)phenyl]methylamino]methyl]-N-(dicyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine
PubChem CID57486844
Molecular FormulaC25H27F6N5
Molecular Weight511.51 g/mol
Exact Mass511.22
IUPAC Name5-[[[3,5-bis(trifluoromethyl)phenyl]methylamino]methyl]-N-(dicyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine
SMILESCc1nn(C)c2nc(NC(C3CC3)C3CC3)c(CNCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc12
InChIInChI=1S/C25H27F6N5/c1-13-20-9-17(12-32-11-14-7-18(24(26,27)28)10-19(8-14)25(29,30)31)22(34-23(20)36(2)35-13)33-21(15-3-4-15)16-5-6-16/h7-10,15-16,21,32H,3-6,11-12H2,1-2H3,(H,33,34)
InChIKeyVKMVOQONBZLJLL-UHFFFAOYSA-N
XLogP6.20
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.51
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[[[3,5-bis(trifluoromethyl)phenyl]methylamino]methyl]-N-(dicyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[[3,5-bis(trifluoromethyl)phenyl]methylamino]methyl]-N-(dicyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine?
The IUPAC name of 5-[[[3,5-bis(trifluoromethyl)phenyl]methylamino]methyl]-N-(dicyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine (CID 57486844) is 5-[[[3,5-bis(trifluoromethyl)phenyl]methylamino]methyl]-N-(dicyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine.
What is the SMILES notation for 5-[[[3,5-bis(trifluoromethyl)phenyl]methylamino]methyl]-N-(dicyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine?
The canonical SMILES for 5-[[[3,5-bis(trifluoromethyl)phenyl]methylamino]methyl]-N-(dicyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine is Cc1nn(C)c2nc(NC(C3CC3)C3CC3)c(CNCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc12.
What is the InChIKey of 5-[[[3,5-bis(trifluoromethyl)phenyl]methylamino]methyl]-N-(dicyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine?
The InChIKey is VKMVOQONBZLJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F6N5/c1-13-20-9-17(12-32-11-14-7-18(24(26,27)28)10-19(8-14)25(29,30)31)22(34-23(20)36(2)35-13)33-21(15-3-4-15)16-5-6-16/h7-10,15-16,21,32H,3-6,11-12H2,1-2H3,(H,33,34).
What are the key properties of 5-[[[3,5-bis(trifluoromethyl)phenyl]methylamino]methyl]-N-(dicyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine?
5-[[[3,5-bis(trifluoromethyl)phenyl]methylamino]methyl]-N-(dicyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine has a molecular weight of 511.51 g/mol, XLogP of 6.20, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[3,5-bis(trifluoromethyl)phenyl]methylamino]methyl]-N-(dicyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine is sourced from PubChem (CID 57486844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).