N-[[5-[(5-methylfuran-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid

C21H23F3N6O4 — CID 155832450

IUPACN-[[5-[(5-methylfuran-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1ccc(CN2Cc3ccnn3CC(CNC(=O)c3cnccn3)C2)o1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H22N6O2.C2HF3O2/c1-14-2-3-17(27-14)13-24-10-15(11-25-16(12-24)4-5-23-25)8-22-19(26)18-9-20-6-7-21-18;3-2(4,5)1(6)7/h2-7,9,15H,8,10-13H2,1H3,(H,22,26);(H,6,7)
InChIKeyUNRINWDUWPPYQJ-UHFFFAOYSA-N
MW480.45 g/mol
LogP2.27
Rot. Bonds5

About N-[[5-[(5-methylfuran-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid

N-[[5-[(5-methylfuran-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155832450) has the molecular formula C21H23F3N6O4 and a molecular weight of 480.45 g/mol. Its IUPAC name is N-[[5-[(5-methylfuran-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[[5-[(5-methylfuran-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155832450
Molecular FormulaC21H23F3N6O4
Molecular Weight480.45 g/mol
Exact Mass480.17
IUPAC NameN-[[5-[(5-methylfuran-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1ccc(CN2Cc3ccnn3CC(CNC(=O)c3cnccn3)C2)o1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H22N6O2.C2HF3O2/c1-14-2-3-17(27-14)13-24-10-15(11-25-16(12-24)4-5-23-25)8-22-19(26)18-9-20-6-7-21-18;3-2(4,5)1(6)7/h2-7,9,15H,8,10-13H2,1H3,(H,22,26);(H,6,7)
InChIKeyUNRINWDUWPPYQJ-UHFFFAOYSA-N
XLogP2.27
TPSA126.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.45
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[[5-[(5-methylfuran-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]pyrazine-2-carboxamide;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

N-[(5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl)methyl]pyrazine-2-carboxamide
CID 133141737
2-[5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(pyridin-3-ylmethyl)acetamide;2,2,2-trifluoroacetic acid
CID 155844147
N-[(3S,3aS,7aS)-1-[(5-methylfuran-2-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155863809
7-(ethoxymethyl)-5-[(5-methylfuran-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 131644437
2-cyclopropyl-N-[[5-(furan-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]acetamide;2,2,2-trifluoroacetic acid
CID 155847923
1-methyl-N-[2-[5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155861974
N-[2-[5-(pyridin-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]pyrimidin-2-amine;tris(2,2,2-trifluoroacetic acid)
CID 155860824
7-(cyclopropylmethoxymethyl)-5-(furan-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid
CID 118743188
N-[[5-(1,3-benzodioxol-5-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]-2-methoxyacetamide;2,2,2-trifluoroacetic acid
CID 155834115
7-(cyclopropylmethoxymethyl)-5-[(1-methylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid
CID 155832312
5-[(2,5-dimethylpyrazol-3-yl)methyl]-7-(piperidin-1-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine;bis(2,2,2-trifluoroacetic acid)
CID 155839991
N-(azetidin-3-ylmethyl)pyrazine-2-carboxamide
CID 127017038

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(5-methylfuran-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[[5-[(5-methylfuran-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid (CID 155832450) is N-[[5-[(5-methylfuran-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[[5-[(5-methylfuran-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[[5-[(5-methylfuran-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid is Cc1ccc(CN2Cc3ccnn3CC(CNC(=O)c3cnccn3)C2)o1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[[5-[(5-methylfuran-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is UNRINWDUWPPYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2.C2HF3O2/c1-14-2-3-17(27-14)13-24-10-15(11-25-16(12-24)4-5-23-25)8-22-19(26)18-9-20-6-7-21-18;3-2(4,5)1(6)7/h2-7,9,15H,8,10-13H2,1H3,(H,22,26);(H,6,7).
What are the key properties of N-[[5-[(5-methylfuran-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid?
N-[[5-[(5-methylfuran-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 480.45 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(5-methylfuran-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155832450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).