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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Related Compounds

2-methyl-4-(6-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline
CID 142464241
ethane;1-[4-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]-1,4-azaborinane-4-carbonitrile
CID 144728039
4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-2-amine
CID 142464143
2-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)pyrazolo[1,5-a]pyridin-3-yl]quinoline
CID 142464235
4-(6-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline
CID 142464396
4-[2-[[6-[3-(2-deuterioquinolin-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-pyridinyl]oxy]ethyl]morpholine
CID 118894264
3-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)quinolin-4-amine
CID 25204039
3-(2-methylquinolin-4-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 118779645
4-[4-(2-chloroethyl)piperazin-1-yl]-2-methylquinoline
CID 63392682
4-[6-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2H-isoquinolin-1-one
CID 166562529
5-methyl-N-(2-morpholin-4-ylethyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 665651
4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline chloride
CID 146018845

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).