1-[1-[9-amino-3-(4-fluorophenyl)-1-pentyl-10H-pyrazolo[5,4-f][1,5]diazonin-7-yl]-3,5-dimethylpyrazol-4-yl]ethanone

C26H30FN7O — CID 137305549

IUPAC1-[1-[9-amino-3-(4-fluorophenyl)-1-pentyl-10H-pyrazolo[5,4-f][1,5]diazonin-7-yl]-3,5-dimethylpyrazol-4-yl]ethanone
SMILESCCCCCn1nc(-c2ccc(F)cc2)c2ccnc(-n3nc(C)c(C(C)=O)c3C)cc(N)[nH]c21
InChIInChI=1S/C26H30FN7O/c1-5-6-7-14-33-26-21(25(32-33)19-8-10-20(27)11-9-19)12-13-29-23(15-22(28)30-26)34-17(3)24(18(4)35)16(2)31-34/h8-13,15,30H,5-7,14,28H2,1-4H3/b13-12-,22-15-,29-23+
InChIKeyQLGDZLOKLUYBBK-HAUZNNNWSA-N
MW475.57 g/mol
LogP5.47
Rot. Bonds7

About 1-[1-[9-amino-3-(4-fluorophenyl)-1-pentyl-10H-pyrazolo[5,4-f][1,5]diazonin-7-yl]-3,5-dimethylpyrazol-4-yl]ethanone

1-[1-[9-amino-3-(4-fluorophenyl)-1-pentyl-10H-pyrazolo[5,4-f][1,5]diazonin-7-yl]-3,5-dimethylpyrazol-4-yl]ethanone (PubChem CID 137305549) has the molecular formula C26H30FN7O and a molecular weight of 475.57 g/mol. Its IUPAC name is 1-[1-[9-amino-3-(4-fluorophenyl)-1-pentyl-10H-pyrazolo[5,4-f][1,5]diazonin-7-yl]-3,5-dimethylpyrazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-[9-amino-3-(4-fluorophenyl)-1-pentyl-10H-pyrazolo[5,4-f][1,5]diazonin-7-yl]-3,5-dimethylpyrazol-4-yl]ethanone
PubChem CID137305549
Molecular FormulaC26H30FN7O
Molecular Weight475.57 g/mol
Exact Mass475.25
IUPAC Name1-[1-[9-amino-3-(4-fluorophenyl)-1-pentyl-10H-pyrazolo[5,4-f][1,5]diazonin-7-yl]-3,5-dimethylpyrazol-4-yl]ethanone
SMILESCCCCCn1nc(-c2ccc(F)cc2)c2ccnc(-n3nc(C)c(C(C)=O)c3C)cc(N)[nH]c21
InChIInChI=1S/C26H30FN7O/c1-5-6-7-14-33-26-21(25(32-33)19-8-10-20(27)11-9-19)12-13-29-23(15-22(28)30-26)34-17(3)24(18(4)35)16(2)31-34/h8-13,15,30H,5-7,14,28H2,1-4H3/b13-12-,22-15-,29-23+
InChIKeyQLGDZLOKLUYBBK-HAUZNNNWSA-N
XLogP5.47
TPSA107.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.57
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[1-[9-amino-3-(4-fluorophenyl)-1-pentyl-10H-pyrazolo[5,4-f][1,5]diazonin-7-yl]-3,5-dimethylpyrazol-4-yl]ethanone with MolForge

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Related Compounds

ethyl 1-[9-amino-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-10H-pyrazolo[5,4-f][1,5]diazonin-7-yl]-3,5-dimethylpyrazole-4-carboxylate
CID 137305516
1-[1-[9-amino-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-10H-pyrazolo[5,4-f][1,5]diazonin-7-yl]-3,5-dimethylpyrazol-4-yl]propan-1-ol
CID 137305496
7-(3,5-dimethylpyrazol-1-yl)-3-(4-fluorophenyl)-1-methyl-10H-pyrazolo[5,4-f][1,5]diazonin-9-amine
CID 137305511
2-[9-amino-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-10H-pyrazolo[5,4-f][1,5]diazonin-7-yl]-4,5,6,7-tetrahydro-1H-indazol-3-one
CID 137305537
1-(1-hexyl-3,5-dimethylpyrazol-4-yl)ethanone
CID 62726492
5-acetyl-4-amino-2-butyl-6-pyridin-4-ylpyridazin-3-one
CID 16755889
ethyl 1-[6-[[4-chloro-5-(4-fluorophenyl)-2-methylpyrazol-3-yl]methyl]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxylate
CID 149396498
ethyl 1-[6-[[4-ethyl-3-(4-fluorophenyl)-1H-pyrazol-5-yl]methyl]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxylate
CID 158985140
5-amino-3-(4-fluoro-3-methylphenyl)-1-pentylpyrazole-4-carbaldehyde
CID 82360840
1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-N,N,3,5-tetramethylpyrazole-4-carboxamide
CID 142754166
bicyclo[3.1.0]hexa-1(6),2,4-triene;N-[3-(4-fluorophenyl)-1-propyl-4-pyridin-4-ylpyrazol-5-yl]acetamide
CID 18674209
1-(4-fluorophenyl)-3,5-dimethyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyrazole-4-carboxamide
CID 55619852

Frequently Asked Questions

What is the IUPAC name of 1-[1-[9-amino-3-(4-fluorophenyl)-1-pentyl-10H-pyrazolo[5,4-f][1,5]diazonin-7-yl]-3,5-dimethylpyrazol-4-yl]ethanone?
The IUPAC name of 1-[1-[9-amino-3-(4-fluorophenyl)-1-pentyl-10H-pyrazolo[5,4-f][1,5]diazonin-7-yl]-3,5-dimethylpyrazol-4-yl]ethanone (CID 137305549) is 1-[1-[9-amino-3-(4-fluorophenyl)-1-pentyl-10H-pyrazolo[5,4-f][1,5]diazonin-7-yl]-3,5-dimethylpyrazol-4-yl]ethanone.
What is the SMILES notation for 1-[1-[9-amino-3-(4-fluorophenyl)-1-pentyl-10H-pyrazolo[5,4-f][1,5]diazonin-7-yl]-3,5-dimethylpyrazol-4-yl]ethanone?
The canonical SMILES for 1-[1-[9-amino-3-(4-fluorophenyl)-1-pentyl-10H-pyrazolo[5,4-f][1,5]diazonin-7-yl]-3,5-dimethylpyrazol-4-yl]ethanone is CCCCCn1nc(-c2ccc(F)cc2)c2ccnc(-n3nc(C)c(C(C)=O)c3C)cc(N)[nH]c21.
What is the InChIKey of 1-[1-[9-amino-3-(4-fluorophenyl)-1-pentyl-10H-pyrazolo[5,4-f][1,5]diazonin-7-yl]-3,5-dimethylpyrazol-4-yl]ethanone?
The InChIKey is QLGDZLOKLUYBBK-HAUZNNNWSA-N. The full InChI is InChI=1S/C26H30FN7O/c1-5-6-7-14-33-26-21(25(32-33)19-8-10-20(27)11-9-19)12-13-29-23(15-22(28)30-26)34-17(3)24(18(4)35)16(2)31-34/h8-13,15,30H,5-7,14,28H2,1-4H3/b13-12-,22-15-,29-23+.
What are the key properties of 1-[1-[9-amino-3-(4-fluorophenyl)-1-pentyl-10H-pyrazolo[5,4-f][1,5]diazonin-7-yl]-3,5-dimethylpyrazol-4-yl]ethanone?
1-[1-[9-amino-3-(4-fluorophenyl)-1-pentyl-10H-pyrazolo[5,4-f][1,5]diazonin-7-yl]-3,5-dimethylpyrazol-4-yl]ethanone has a molecular weight of 475.57 g/mol, XLogP of 5.47, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[9-amino-3-(4-fluorophenyl)-1-pentyl-10H-pyrazolo[5,4-f][1,5]diazonin-7-yl]-3,5-dimethylpyrazol-4-yl]ethanone is sourced from PubChem (CID 137305549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).