1-[6-(cyclopropylmethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-N,N-dimethylmethanamine;bis(2,2,2-trifluoroacetic acid)

C20H30F6N4O4 — CID 118745626

About 1-[6-(cyclopropylmethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-N,N-dimethylmethanamine;bis(2,2,2-trifluoroacetic acid)

1-[6-(cyclopropylmethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-N,N-dimethylmethanamine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 118745626) has the molecular formula C20H30F6N4O4 and a molecular weight of 504.47 g/mol. Its IUPAC name is 1-[6-(cyclopropylmethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-N,N-dimethylmethanamine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 1-[6-(cyclopropylmethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-N,N-dimethylmethanamine;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 118745626
• Molecular Formula: C20H30F6N4O4
• Molecular Weight: 504.47 g/mol
• Exact Mass: 504.22
• IUPAC Name: 1-[6-(cyclopropylmethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-N,N-dimethylmethanamine;bis(2,2,2-trifluoroacetic acid)
• SMILES: CC(C)n1nc(CN(C)C)c2c1CN(CC1CC1)CC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C16H28N4.2C2HF3O2/c1-12(2)20-16-11-19(9-13-5-6-13)8-7-14(16)15(17-20)10-18(3)4;2*3-2(4,5)1(6)7/h12-13H,5-11H2,1-4H3;2*(H,6,7)
• InChIKey: LIVHDEGPSVMTSB-UHFFFAOYSA-N
• XLogP: 3.56
• TPSA: 98.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.47
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[6-(cyclopropylmethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-N,N-dimethylmethanamine;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of 1-[6-(cyclopropylmethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-N,N-dimethylmethanamine;bis(2,2,2-trifluoroacetic acid) (CID 118745626) is 1-[6-(cyclopropylmethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-N,N-dimethylmethanamine;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for 1-[6-(cyclopropylmethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-N,N-dimethylmethanamine;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for 1-[6-(cyclopropylmethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-N,N-dimethylmethanamine;bis(2,2,2-trifluoroacetic acid) is CC(C)n1nc(CN(C)C)c2c1CN(CC1CC1)CC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of 1-[6-(cyclopropylmethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-N,N-dimethylmethanamine;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is LIVHDEGPSVMTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4.2C2HF3O2/c1-12(2)20-16-11-19(9-13-5-6-13)8-7-14(16)15(17-20)10-18(3)4;2*3-2(4,5)1(6)7/h12-13H,5-11H2,1-4H3;2*(H,6,7).

What are the key properties of 1-[6-(cyclopropylmethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-N,N-dimethylmethanamine;bis(2,2,2-trifluoroacetic acid)?

1-[6-(cyclopropylmethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-N,N-dimethylmethanamine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 504.47 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-(cyclopropylmethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-N,N-dimethylmethanamine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 118745626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).