3-(6-fluoroquinolin-3-yl)-5-[1-(oxan-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

C22H23FN6O — CID 66584734

IUPAC3-(6-fluoroquinolin-3-yl)-5-[1-(oxan-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(NC1CCOCC1)c1cc(N)n2ncc(-c3cnc4ccc(F)cc4c3)c2n1
InChIInChI=1S/C22H23FN6O/c1-13(27-17-4-6-30-7-5-17)20-10-21(24)29-22(28-20)18(12-26-29)15-8-14-9-16(23)2-3-19(14)25-11-15/h2-3,8-13,17,27H,4-7,24H2,1H3
InChIKeyMFMUGFFRZJMHOV-UHFFFAOYSA-N
MW406.47 g/mol
LogP3.50
Rot. Bonds4

About 3-(6-fluoroquinolin-3-yl)-5-[1-(oxan-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

3-(6-fluoroquinolin-3-yl)-5-[1-(oxan-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 66584734) has the molecular formula C22H23FN6O and a molecular weight of 406.47 g/mol. Its IUPAC name is 3-(6-fluoroquinolin-3-yl)-5-[1-(oxan-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(6-fluoroquinolin-3-yl)-5-[1-(oxan-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID66584734
Molecular FormulaC22H23FN6O
Molecular Weight406.47 g/mol
Exact Mass406.19
IUPAC Name3-(6-fluoroquinolin-3-yl)-5-[1-(oxan-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(NC1CCOCC1)c1cc(N)n2ncc(-c3cnc4ccc(F)cc4c3)c2n1
InChIInChI=1S/C22H23FN6O/c1-13(27-17-4-6-30-7-5-17)20-10-21(24)29-22(28-20)18(12-26-29)15-8-14-9-16(23)2-3-19(14)25-11-15/h2-3,8-13,17,27H,4-7,24H2,1H3
InChIKeyMFMUGFFRZJMHOV-UHFFFAOYSA-N
XLogP3.50
TPSA90.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoroquinolin-3-yl)-5-[1-(oxan-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-(6-fluoroquinolin-3-yl)-5-[1-(oxan-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 66584734) is 3-(6-fluoroquinolin-3-yl)-5-[1-(oxan-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-(6-fluoroquinolin-3-yl)-5-[1-(oxan-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-(6-fluoroquinolin-3-yl)-5-[1-(oxan-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine is CC(NC1CCOCC1)c1cc(N)n2ncc(-c3cnc4ccc(F)cc4c3)c2n1.
What is the InChIKey of 3-(6-fluoroquinolin-3-yl)-5-[1-(oxan-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is MFMUGFFRZJMHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6O/c1-13(27-17-4-6-30-7-5-17)20-10-21(24)29-22(28-20)18(12-26-29)15-8-14-9-16(23)2-3-19(14)25-11-15/h2-3,8-13,17,27H,4-7,24H2,1H3.
What are the key properties of 3-(6-fluoroquinolin-3-yl)-5-[1-(oxan-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
3-(6-fluoroquinolin-3-yl)-5-[1-(oxan-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 406.47 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoroquinolin-3-yl)-5-[1-(oxan-4-ylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 66584734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).