4-[2-[4-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]ethyl]morpholine

C26H31N7O — CID 142464186

IUPAC4-[2-[4-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]ethyl]morpholine
SMILESCc1cc(-c2cnn3cc(N4CCN(CCN5CCOCC5)CC4)cnc23)c2ccccc2n1
InChIInChI=1S/C26H31N7O/c1-20-16-23(22-4-2-3-5-25(22)29-20)24-18-28-33-19-21(17-27-26(24)33)32-10-8-30(9-11-32)6-7-31-12-14-34-15-13-31/h2-5,16-19H,6-15H2,1H3
InChIKeyRTBMJRWMEMIFHI-UHFFFAOYSA-N
MW457.58 g/mol
LogP2.71
Rot. Bonds5

About 4-[2-[4-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]ethyl]morpholine

4-[2-[4-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]ethyl]morpholine (PubChem CID 142464186) has the molecular formula C26H31N7O and a molecular weight of 457.58 g/mol. Its IUPAC name is 4-[2-[4-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]ethyl]morpholine
PubChem CID142464186
Molecular FormulaC26H31N7O
Molecular Weight457.58 g/mol
Exact Mass457.26
IUPAC Name4-[2-[4-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]ethyl]morpholine
SMILESCc1cc(-c2cnn3cc(N4CCN(CCN5CCOCC5)CC4)cnc23)c2ccccc2n1
InChIInChI=1S/C26H31N7O/c1-20-16-23(22-4-2-3-5-25(22)29-20)24-18-28-33-19-21(17-27-26(24)33)32-10-8-30(9-11-32)6-7-31-12-14-34-15-13-31/h2-5,16-19H,6-15H2,1H3
InChIKeyRTBMJRWMEMIFHI-UHFFFAOYSA-N
XLogP2.71
TPSA62.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.58
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[4-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]ethyl]morpholine (CID 142464186) is 4-[2-[4-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]ethyl]morpholine is Cc1cc(-c2cnn3cc(N4CCN(CCN5CCOCC5)CC4)cnc23)c2ccccc2n1.
What is the InChIKey of 4-[2-[4-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]ethyl]morpholine?
The InChIKey is RTBMJRWMEMIFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O/c1-20-16-23(22-4-2-3-5-25(22)29-20)24-18-28-33-19-21(17-27-26(24)33)32-10-8-30(9-11-32)6-7-31-12-14-34-15-13-31/h2-5,16-19H,6-15H2,1H3.
What are the key properties of 4-[2-[4-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]ethyl]morpholine?
4-[2-[4-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]ethyl]morpholine has a molecular weight of 457.58 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]ethyl]morpholine is sourced from PubChem (CID 142464186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).