5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-(cyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine

C24H25F6N9 — CID 57444438

About 5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-(cyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine

5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-(cyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine (PubChem CID 57444438) has the molecular formula C24H25F6N9 and a molecular weight of 553.52 g/mol. Its IUPAC name is 5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-(cyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine.

Molecular Properties

• Compound Name: 5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-(cyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine
• PubChem CID: 57444438
• Molecular Formula: C24H25F6N9
• Molecular Weight: 553.52 g/mol
• Exact Mass: 553.21
• IUPAC Name: 5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-(cyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine
• SMILES: Cc1nn(C)c2nc(NCC3CC3)c(CN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3nnn(C)n3)cc12
• InChI: InChI=1S/C24H25F6N9/c1-13-19-8-16(20(31-10-14-4-5-14)32-21(19)37(2)34-13)12-39(22-33-36-38(3)35-22)11-15-6-17(23(25,26)27)9-18(7-15)24(28,29)30/h6-9,14H,4-5,10-12H2,1-3H3,(H,31,32)
• InChIKey: FTKBITUEXJJLLG-UHFFFAOYSA-N
• XLogP: 4.87
• TPSA: 89.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	553.52
LogP ≤ 5	4.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-(cyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine?

The IUPAC name of 5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-(cyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine (CID 57444438) is 5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-(cyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine.

What is the SMILES notation for 5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-(cyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine?

The canonical SMILES for 5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-(cyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine is Cc1nn(C)c2nc(NCC3CC3)c(CN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3nnn(C)n3)cc12.

What is the InChIKey of 5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-(cyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine?

The InChIKey is FTKBITUEXJJLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F6N9/c1-13-19-8-16(20(31-10-14-4-5-14)32-21(19)37(2)34-13)12-39(22-33-36-38(3)35-22)11-15-6-17(23(25,26)27)9-18(7-15)24(28,29)30/h6-9,14H,4-5,10-12H2,1-3H3,(H,31,32).

What are the key properties of 5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-(cyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine?

5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-(cyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine has a molecular weight of 553.52 g/mol, XLogP of 4.87, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-(cyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine is sourced from PubChem (CID 57444438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).