5-(2-fluoro-6-methoxyphenyl)-3-(6-piperazin-1-yl-3-pyridinyl)-1H-pyrazolo[4,3-d]pyrimidine

C21H20FN7O — CID 134326335

IUPAC5-(2-fluoro-6-methoxyphenyl)-3-(6-piperazin-1-yl-3-pyridinyl)-1H-pyrazolo[4,3-d]pyrimidine
SMILESCOc1cccc(F)c1-c1ncc2[nH]nc(-c3ccc(N4CCNCC4)nc3)c2n1
InChIInChI=1S/C21H20FN7O/c1-30-16-4-2-3-14(22)18(16)21-25-12-15-20(26-21)19(28-27-15)13-5-6-17(24-11-13)29-9-7-23-8-10-29/h2-6,11-12,23H,7-10H2,1H3,(H,27,28)
InChIKeyXLQBXTYJKNNBKZ-UHFFFAOYSA-N
MW405.44 g/mol
LogP2.64
Rot. Bonds4

About 5-(2-fluoro-6-methoxyphenyl)-3-(6-piperazin-1-yl-3-pyridinyl)-1H-pyrazolo[4,3-d]pyrimidine

5-(2-fluoro-6-methoxyphenyl)-3-(6-piperazin-1-yl-3-pyridinyl)-1H-pyrazolo[4,3-d]pyrimidine (PubChem CID 134326335) has the molecular formula C21H20FN7O and a molecular weight of 405.44 g/mol. Its IUPAC name is 5-(2-fluoro-6-methoxyphenyl)-3-(6-piperazin-1-yl-3-pyridinyl)-1H-pyrazolo[4,3-d]pyrimidine.

Molecular Properties

Compound Name5-(2-fluoro-6-methoxyphenyl)-3-(6-piperazin-1-yl-3-pyridinyl)-1H-pyrazolo[4,3-d]pyrimidine
PubChem CID134326335
Molecular FormulaC21H20FN7O
Molecular Weight405.44 g/mol
Exact Mass405.17
IUPAC Name5-(2-fluoro-6-methoxyphenyl)-3-(6-piperazin-1-yl-3-pyridinyl)-1H-pyrazolo[4,3-d]pyrimidine
SMILESCOc1cccc(F)c1-c1ncc2[nH]nc(-c3ccc(N4CCNCC4)nc3)c2n1
InChIInChI=1S/C21H20FN7O/c1-30-16-4-2-3-14(22)18(16)21-25-12-15-20(26-21)19(28-27-15)13-5-6-17(24-11-13)29-9-7-23-8-10-29/h2-6,11-12,23H,7-10H2,1H3,(H,27,28)
InChIKeyXLQBXTYJKNNBKZ-UHFFFAOYSA-N
XLogP2.64
TPSA91.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.44
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-(2-fluoro-6-methoxyphenyl)-3-(6-piperazin-1-yl-3-pyridinyl)-1H-pyrazolo[4,3-d]pyrimidine 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-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 24795070
Migoprotafib
CID 139512018
Pyrazolo[1,5-b]pyridazine deriv. 70
CID 6539412
7-methoxy-N-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine
CID 25064730
2-(2,6-Difluoro-4-Methoxyphenyl)-1-(4-{4-[(3-Methyl-1h-Pyrazol-5-Yl)amino]pyrrolo[2,1-F][1,2,4]triazin-2-Yl}piperazin-1-Yl)ethanone
CID 49859752
N-(2,4-difluorophenyl)-3-(5-(3-(dimethylamino)prop-1-ynyl)-2-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 11590141
N-(2,4-difluorophenyl)-3-(2-methoxy-5-(3-(4-methylpiperazin-1-yl)prop-1-ynyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 11634558
2-(4-(2-(2-methoxypyridin-3-yl)-3H-imidazo[4,5-b]pyridin-6-yl)piperidin-1-yl)-N-methylethanamine
CID 45487354
7-(4-((1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-fluorophenyl)-3-(3-methoxyphenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 46879452
7-(2-Methoxyphenyl)-N-(4-(4-methylpiperazin-1-yl)phenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 54577892
(2S)-1-[4-[3-[[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperazin-1-yl]propan-2-ol
CID 57390669
7-(6-methoxy-3-pyridinyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 57390672

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-6-methoxyphenyl)-3-(6-piperazin-1-yl-3-pyridinyl)-1H-pyrazolo[4,3-d]pyrimidine?
The IUPAC name of 5-(2-fluoro-6-methoxyphenyl)-3-(6-piperazin-1-yl-3-pyridinyl)-1H-pyrazolo[4,3-d]pyrimidine (CID 134326335) is 5-(2-fluoro-6-methoxyphenyl)-3-(6-piperazin-1-yl-3-pyridinyl)-1H-pyrazolo[4,3-d]pyrimidine.
What is the SMILES notation for 5-(2-fluoro-6-methoxyphenyl)-3-(6-piperazin-1-yl-3-pyridinyl)-1H-pyrazolo[4,3-d]pyrimidine?
The canonical SMILES for 5-(2-fluoro-6-methoxyphenyl)-3-(6-piperazin-1-yl-3-pyridinyl)-1H-pyrazolo[4,3-d]pyrimidine is COc1cccc(F)c1-c1ncc2[nH]nc(-c3ccc(N4CCNCC4)nc3)c2n1.
What is the InChIKey of 5-(2-fluoro-6-methoxyphenyl)-3-(6-piperazin-1-yl-3-pyridinyl)-1H-pyrazolo[4,3-d]pyrimidine?
The InChIKey is XLQBXTYJKNNBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN7O/c1-30-16-4-2-3-14(22)18(16)21-25-12-15-20(26-21)19(28-27-15)13-5-6-17(24-11-13)29-9-7-23-8-10-29/h2-6,11-12,23H,7-10H2,1H3,(H,27,28).
What are the key properties of 5-(2-fluoro-6-methoxyphenyl)-3-(6-piperazin-1-yl-3-pyridinyl)-1H-pyrazolo[4,3-d]pyrimidine?
5-(2-fluoro-6-methoxyphenyl)-3-(6-piperazin-1-yl-3-pyridinyl)-1H-pyrazolo[4,3-d]pyrimidine has a molecular weight of 405.44 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-6-methoxyphenyl)-3-(6-piperazin-1-yl-3-pyridinyl)-1H-pyrazolo[4,3-d]pyrimidine is sourced from PubChem (CID 134326335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).