7-fluoro-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline

C25H28FN7 — CID 142464162

IUPAC7-fluoro-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
SMILESCN1CCN(C2CCN(c3cnc4c(-c5ccnc6cc(F)ccc56)cnn4c3)CC2)CC1
InChIInChI=1S/C25H28FN7/c1-30-10-12-32(13-11-30)19-5-8-31(9-6-19)20-15-28-25-23(16-29-33(25)17-20)21-4-7-27-24-14-18(26)2-3-22(21)24/h2-4,7,14-17,19H,5-6,8-13H2,1H3
InChIKeyBUHGUNGCPVFITR-UHFFFAOYSA-N
MW445.55 g/mol
LogP3.30
Rot. Bonds3

About 7-fluoro-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline

7-fluoro-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline (PubChem CID 142464162) has the molecular formula C25H28FN7 and a molecular weight of 445.55 g/mol. Its IUPAC name is 7-fluoro-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline.

Molecular Properties

Compound Name7-fluoro-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
PubChem CID142464162
Molecular FormulaC25H28FN7
Molecular Weight445.55 g/mol
Exact Mass445.24
IUPAC Name7-fluoro-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
SMILESCN1CCN(C2CCN(c3cnc4c(-c5ccnc6cc(F)ccc56)cnn4c3)CC2)CC1
InChIInChI=1S/C25H28FN7/c1-30-10-12-32(13-11-30)19-5-8-31(9-6-19)20-15-28-25-23(16-29-33(25)17-20)21-4-7-27-24-14-18(26)2-3-22(21)24/h2-4,7,14-17,19H,5-6,8-13H2,1H3
InChIKeyBUHGUNGCPVFITR-UHFFFAOYSA-N
XLogP3.30
TPSA52.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.55
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-fluoro-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
The IUPAC name of 7-fluoro-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline (CID 142464162) is 7-fluoro-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline.
What is the SMILES notation for 7-fluoro-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
The canonical SMILES for 7-fluoro-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline is CN1CCN(C2CCN(c3cnc4c(-c5ccnc6cc(F)ccc56)cnn4c3)CC2)CC1.
What is the InChIKey of 7-fluoro-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
The InChIKey is BUHGUNGCPVFITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN7/c1-30-10-12-32(13-11-30)19-5-8-31(9-6-19)20-15-28-25-23(16-29-33(25)17-20)21-4-7-27-24-14-18(26)2-3-22(21)24/h2-4,7,14-17,19H,5-6,8-13H2,1H3.
What are the key properties of 7-fluoro-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
7-fluoro-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline has a molecular weight of 445.55 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline is sourced from PubChem (CID 142464162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).