[6-[(5-methylfuran-2-yl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid

C19H23F3N4O4 — CID 171672661

IUPAC[6-[(5-methylfuran-2-yl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid
SMILESCc1ccc(CN2CCc3c(C(=O)N4CCCC4)n[nH]c3C2)o1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H22N4O2.C2HF3O2/c1-12-4-5-13(23-12)10-20-9-6-14-15(11-20)18-19-16(14)17(22)21-7-2-3-8-21;3-2(4,5)1(6)7/h4-5H,2-3,6-11H2,1H3,(H,18,19);(H,6,7)
InChIKeyIXCUMLRXXIOLCD-UHFFFAOYSA-N
MW428.41 g/mol
LogP2.74
Rot. Bonds3

About [6-[(5-methylfuran-2-yl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid

[6-[(5-methylfuran-2-yl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid (PubChem CID 171672661) has the molecular formula C19H23F3N4O4 and a molecular weight of 428.41 g/mol. Its IUPAC name is [6-[(5-methylfuran-2-yl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[6-[(5-methylfuran-2-yl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid
PubChem CID171672661
Molecular FormulaC19H23F3N4O4
Molecular Weight428.41 g/mol
Exact Mass428.17
IUPAC Name[6-[(5-methylfuran-2-yl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid
SMILESCc1ccc(CN2CCc3c(C(=O)N4CCCC4)n[nH]c3C2)o1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H22N4O2.C2HF3O2/c1-12-4-5-13(23-12)10-20-9-6-14-15(11-20)18-19-16(14)17(22)21-7-2-3-8-21;3-2(4,5)1(6)7/h4-5H,2-3,6-11H2,1H3,(H,18,19);(H,6,7)
InChIKeyIXCUMLRXXIOLCD-UHFFFAOYSA-N
XLogP2.74
TPSA102.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.41
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [6-[(5-methylfuran-2-yl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid with MolForge

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

Launch Full Analysis

Related Compounds

[4-(furan-2-ylmethyl)piperazin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 45830705
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(2-furylmethyl)piperidine-3-carboxamide
CID 46986989
N,N-dimethyl-6-[(5-methylfuran-2-yl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 97388982
N,N-dimethyl-5-[(5-methylfuran-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 97461841
[5-[(5-Methylfuran-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 97461880
4-[5-[(5-Ethylfuran-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one
CID 97461885
N-[(5-methyl-2-furyl)methyl]-4,5,6,7-tetrahydro-2H-indazole-3-carboxamide
CID 28666019
2-[(2S)-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide
CID 29257947
Furan-2-yl-[3-(4-methylpiperidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 46076177
5-(4-fluorobenzoyl)-N-(furan-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 46115277
5-(5-methoxy-2-furoyl)-N-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 91771387
N,N-dimethyl-5-[(5-methylfuran-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 118742233

Frequently Asked Questions

What is the IUPAC name of [6-[(5-methylfuran-2-yl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid?
The IUPAC name of [6-[(5-methylfuran-2-yl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid (CID 171672661) is [6-[(5-methylfuran-2-yl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [6-[(5-methylfuran-2-yl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for [6-[(5-methylfuran-2-yl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid is Cc1ccc(CN2CCc3c(C(=O)N4CCCC4)n[nH]c3C2)o1.O=C(O)C(F)(F)F.
What is the InChIKey of [6-[(5-methylfuran-2-yl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid?
The InChIKey is IXCUMLRXXIOLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2.C2HF3O2/c1-12-4-5-13(23-12)10-20-9-6-14-15(11-20)18-19-16(14)17(22)21-7-2-3-8-21;3-2(4,5)1(6)7/h4-5H,2-3,6-11H2,1H3,(H,18,19);(H,6,7).
What are the key properties of [6-[(5-methylfuran-2-yl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid?
[6-[(5-methylfuran-2-yl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid has a molecular weight of 428.41 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(5-methylfuran-2-yl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 171672661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).