8-fluoro-7-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]quinoline

C25H22FN7 — CID 134326986

IUPAC8-fluoro-7-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]quinoline
SMILESCN1CCN(c2ccc(-c3n[nH]c4cnc(-c5ccc6cccnc6c5F)nc34)cc2)CC1
InChIInChI=1S/C25H22FN7/c1-32-11-13-33(14-12-32)18-7-4-17(5-8-18)23-24-20(30-31-23)15-28-25(29-24)19-9-6-16-3-2-10-27-22(16)21(19)26/h2-10,15H,11-14H2,1H3,(H,30,31)
InChIKeyUCRWWSVFQWJGRM-UHFFFAOYSA-N
MW439.50 g/mol
LogP4.13
Rot. Bonds3

About 8-fluoro-7-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]quinoline

8-fluoro-7-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]quinoline (PubChem CID 134326986) has the molecular formula C25H22FN7 and a molecular weight of 439.50 g/mol. Its IUPAC name is 8-fluoro-7-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]quinoline.

Molecular Properties

Compound Name8-fluoro-7-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]quinoline
PubChem CID134326986
Molecular FormulaC25H22FN7
Molecular Weight439.50 g/mol
Exact Mass439.19
IUPAC Name8-fluoro-7-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]quinoline
SMILESCN1CCN(c2ccc(-c3n[nH]c4cnc(-c5ccc6cccnc6c5F)nc34)cc2)CC1
InChIInChI=1S/C25H22FN7/c1-32-11-13-33(14-12-32)18-7-4-17(5-8-18)23-24-20(30-31-23)15-28-25(29-24)19-9-6-16-3-2-10-27-22(16)21(19)26/h2-10,15H,11-14H2,1H3,(H,30,31)
InChIKeyUCRWWSVFQWJGRM-UHFFFAOYSA-N
XLogP4.13
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.50
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-fluoro-7-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]quinoline with MolForge

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Related Compounds

2-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]benzonitrile
CID 134327531
2-[4-[4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]phenyl]piperazin-1-yl]acetic acid
CID 155281171
5-(2-fluoro-6-methoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridine
CID 134327883
2-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine
CID 70794404
azane;5-[3-fluoro-5-(1-methylcyclopropyl)phenyl]-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridine
CID 175348002
3,5-diphenyl-1H-pyrazolo[4,3-d]pyrimidine;ethane
CID 159273056
N-benzyl-4-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,3-dihydro-1H-inden-1-amine
CID 134327569
6,8-difluoro-N-methyl-7-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 134328012
3-[4-(4-ethylpiperazin-1-yl)phenyl]-5-(2-fluoro-6-methyl-4-piperidin-2-ylphenyl)-1H-pyrazolo[4,3-d]pyrimidine
CID 134327006
8-(4-methylpiperazin-1-yl)quinoline
CID 20701166
3-[4-(4-methylpiperazin-1-yl)phenyl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]pyridazin-6-one
CID 167062343
iodocopper;1,10-phenanthroline;bis(tris[(4-methylpiperazin-1-yl)methyl]phosphane)
CID 86573159

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-7-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]quinoline?
The IUPAC name of 8-fluoro-7-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]quinoline (CID 134326986) is 8-fluoro-7-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]quinoline.
What is the SMILES notation for 8-fluoro-7-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]quinoline?
The canonical SMILES for 8-fluoro-7-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]quinoline is CN1CCN(c2ccc(-c3n[nH]c4cnc(-c5ccc6cccnc6c5F)nc34)cc2)CC1.
What is the InChIKey of 8-fluoro-7-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]quinoline?
The InChIKey is UCRWWSVFQWJGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN7/c1-32-11-13-33(14-12-32)18-7-4-17(5-8-18)23-24-20(30-31-23)15-28-25(29-24)19-9-6-16-3-2-10-27-22(16)21(19)26/h2-10,15H,11-14H2,1H3,(H,30,31).
What are the key properties of 8-fluoro-7-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]quinoline?
8-fluoro-7-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]quinoline has a molecular weight of 439.50 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-7-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]quinoline is sourced from PubChem (CID 134326986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).