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

C22H32F6N4O4 — CID 118746501

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

6-(cyclopropylmethyl)-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 118746501) has the molecular formula C22H32F6N4O4 and a molecular weight of 530.51 g/mol. Its IUPAC name is 6-(cyclopropylmethyl)-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 6-(cyclopropylmethyl)-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 118746501
• Molecular Formula: C22H32F6N4O4
• Molecular Weight: 530.51 g/mol
• Exact Mass: 530.23
• IUPAC Name: 6-(cyclopropylmethyl)-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;bis(2,2,2-trifluoroacetic acid)
• SMILES: CC(C)n1nc(CN2CCCC2)c2c1CN(CC1CC1)CC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C18H30N4.2C2HF3O2/c1-14(2)22-18-13-21(11-15-5-6-15)10-7-16(18)17(19-22)12-20-8-3-4-9-20;2*3-2(4,5)1(6)7/h14-15H,3-13H2,1-2H3;2*(H,6,7)
• InChIKey: GTEGDXJWQYWIBH-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 98.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.51
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 6-(cyclopropylmethyl)-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;bis(2,2,2-trifluoroacetic acid) (CID 118746501) is 6-(cyclopropylmethyl)-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;bis(2,2,2-trifluoroacetic acid).

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

The canonical SMILES for 6-(cyclopropylmethyl)-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;bis(2,2,2-trifluoroacetic acid) is CC(C)n1nc(CN2CCCC2)c2c1CN(CC1CC1)CC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

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

The InChIKey is GTEGDXJWQYWIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4.2C2HF3O2/c1-14(2)22-18-13-21(11-15-5-6-15)10-7-16(18)17(19-22)12-20-8-3-4-9-20;2*3-2(4,5)1(6)7/h14-15H,3-13H2,1-2H3;2*(H,6,7).

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

6-(cyclopropylmethyl)-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 530.51 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(cyclopropylmethyl)-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 118746501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).