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

C25H27ClFN7 — CID 142464144

IUPAC6-chloro-7-fluoro-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
SMILESCN1CCN(C2CCN(c3cnc4c(-c5ccnc6cc(F)c(Cl)cc56)cnn4c3)CC2)CC1
InChIInChI=1S/C25H27ClFN7/c1-31-8-10-33(11-9-31)17-3-6-32(7-4-17)18-14-29-25-21(15-30-34(25)16-18)19-2-5-28-24-13-23(27)22(26)12-20(19)24/h2,5,12-17H,3-4,6-11H2,1H3
InChIKeyGJAYSEKCKVTTTR-UHFFFAOYSA-N
MW479.99 g/mol
LogP3.95
Rot. Bonds3

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

6-chloro-7-fluoro-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline (PubChem CID 142464144) has the molecular formula C25H27ClFN7 and a molecular weight of 479.99 g/mol. Its IUPAC name is 6-chloro-7-fluoro-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline.

Molecular Properties

Compound Name6-chloro-7-fluoro-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
PubChem CID142464144
Molecular FormulaC25H27ClFN7
Molecular Weight479.99 g/mol
Exact Mass479.20
IUPAC Name6-chloro-7-fluoro-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
SMILESCN1CCN(C2CCN(c3cnc4c(-c5ccnc6cc(F)c(Cl)cc56)cnn4c3)CC2)CC1
InChIInChI=1S/C25H27ClFN7/c1-31-8-10-33(11-9-31)17-3-6-32(7-4-17)18-14-29-25-21(15-30-34(25)16-18)19-2-5-28-24-13-23(27)22(26)12-20(19)24/h2,5,12-17H,3-4,6-11H2,1H3
InChIKeyGJAYSEKCKVTTTR-UHFFFAOYSA-N
XLogP3.95
TPSA52.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.99
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-fluoro-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
The IUPAC name of 6-chloro-7-fluoro-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline (CID 142464144) is 6-chloro-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 6-chloro-7-fluoro-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
The canonical SMILES for 6-chloro-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)c(Cl)cc56)cnn4c3)CC2)CC1.
What is the InChIKey of 6-chloro-7-fluoro-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
The InChIKey is GJAYSEKCKVTTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClFN7/c1-31-8-10-33(11-9-31)17-3-6-32(7-4-17)18-14-29-25-21(15-30-34(25)16-18)19-2-5-28-24-13-23(27)22(26)12-20(19)24/h2,5,12-17H,3-4,6-11H2,1H3.
What are the key properties of 6-chloro-7-fluoro-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
6-chloro-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 479.99 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-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 142464144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).