3-(6-fluoroquinolin-3-yl)-6-methyl-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-7-amine

C22H23FN6O2 — CID 91059150

IUPAC3-(6-fluoroquinolin-3-yl)-6-methyl-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1c(OCCN2CCOCC2)nc2c(-c3cnc4ccc(F)cc4c3)cnn2c1N
InChIInChI=1S/C22H23FN6O2/c1-14-20(24)29-21(27-22(14)31-9-6-28-4-7-30-8-5-28)18(13-26-29)16-10-15-11-17(23)2-3-19(15)25-12-16/h2-3,10-13H,4-9,24H2,1H3
InChIKeyIMKRBUPHNMYGTO-UHFFFAOYSA-N
MW422.46 g/mol
LogP2.69
Rot. Bonds5

About 3-(6-fluoroquinolin-3-yl)-6-methyl-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-7-amine

3-(6-fluoroquinolin-3-yl)-6-methyl-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 91059150) has the molecular formula C22H23FN6O2 and a molecular weight of 422.46 g/mol. Its IUPAC name is 3-(6-fluoroquinolin-3-yl)-6-methyl-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(6-fluoroquinolin-3-yl)-6-methyl-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID91059150
Molecular FormulaC22H23FN6O2
Molecular Weight422.46 g/mol
Exact Mass422.19
IUPAC Name3-(6-fluoroquinolin-3-yl)-6-methyl-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1c(OCCN2CCOCC2)nc2c(-c3cnc4ccc(F)cc4c3)cnn2c1N
InChIInChI=1S/C22H23FN6O2/c1-14-20(24)29-21(27-22(14)31-9-6-28-4-7-30-8-5-28)18(13-26-29)16-10-15-11-17(23)2-3-19(15)25-12-16/h2-3,10-13H,4-9,24H2,1H3
InChIKeyIMKRBUPHNMYGTO-UHFFFAOYSA-N
XLogP2.69
TPSA90.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[6-[4-(1-Methylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 50997747
4-[4-(3-Quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]morpholine
CID 60182389
Pyrazolo pyrimidine, 5k
CID 25196900
4-(2-(4-(3-(Quinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl)phenoxy)ethyl)morpholine
CID 50997748
N,N-Dimethyl-3-(4-(3-(4-quinolinyl)pyrazolo(1,5-a)pyrimidin-6-yl)phenoxy)-1-propanamine
CID 50997749
4-(6-(4-(2-(4-Methylpiperazin-1-yl)ethoxy)phenyl)pyrazolo[1,5-a]pyrimidin-3-yl)quinoline
CID 44223241
4-(6-(4-(2-(Piperidin-1-yl)ethoxy)phenyl)pyrazolo[1,5-a]pyrimidin-3-yl)quinoline
CID 44577770
10-Methyl-5-(8-piperazin-1-ylquinolin-2-yl)-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene
CID 71202406
US10307425, Example 16
CID 122443093
3-(2-Ethoxyquinolin-6-yl)-1-((1-methylpiperidin-4-yl)methyl)pyrazolo(3,4-d)pyrimidin-4-amine
CID 122453014
Pim1-IN-1
CID 123561371
5,6-difluoro-N-[(4-fluoropiperidin-4-yl)methyl]-2-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)quinolin-8-amine
CID 123944769

Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoroquinolin-3-yl)-6-methyl-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-(6-fluoroquinolin-3-yl)-6-methyl-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-7-amine (CID 91059150) is 3-(6-fluoroquinolin-3-yl)-6-methyl-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-(6-fluoroquinolin-3-yl)-6-methyl-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-(6-fluoroquinolin-3-yl)-6-methyl-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-7-amine is Cc1c(OCCN2CCOCC2)nc2c(-c3cnc4ccc(F)cc4c3)cnn2c1N.
What is the InChIKey of 3-(6-fluoroquinolin-3-yl)-6-methyl-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is IMKRBUPHNMYGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6O2/c1-14-20(24)29-21(27-22(14)31-9-6-28-4-7-30-8-5-28)18(13-26-29)16-10-15-11-17(23)2-3-19(15)25-12-16/h2-3,10-13H,4-9,24H2,1H3.
What are the key properties of 3-(6-fluoroquinolin-3-yl)-6-methyl-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-7-amine?
3-(6-fluoroquinolin-3-yl)-6-methyl-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 422.46 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoroquinolin-3-yl)-6-methyl-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 91059150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).