6-bromo-3-(6-fluoroquinolin-3-yl)-5-[[[1-(methoxymethyl)cyclopropyl]amino]methyl]pyrazolo[1,5-a]pyrimidin-7-amine

C21H20BrFN6O — CID 70217317

IUPAC6-bromo-3-(6-fluoroquinolin-3-yl)-5-[[[1-(methoxymethyl)cyclopropyl]amino]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOCC1(NCc2nc3c(-c4cnc5ccc(F)cc5c4)cnn3c(N)c2Br)CC1
InChIInChI=1S/C21H20BrFN6O/c1-30-11-21(4-5-21)26-10-17-18(22)19(24)29-20(28-17)15(9-27-29)13-6-12-7-14(23)2-3-16(12)25-8-13/h2-3,6-9,26H,4-5,10-11,24H2,1H3
InChIKeyLUQIQUQDGVMZFF-UHFFFAOYSA-N
MW471.33 g/mol
LogP3.70
Rot. Bonds6

About 6-bromo-3-(6-fluoroquinolin-3-yl)-5-[[[1-(methoxymethyl)cyclopropyl]amino]methyl]pyrazolo[1,5-a]pyrimidin-7-amine

6-bromo-3-(6-fluoroquinolin-3-yl)-5-[[[1-(methoxymethyl)cyclopropyl]amino]methyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 70217317) has the molecular formula C21H20BrFN6O and a molecular weight of 471.33 g/mol. Its IUPAC name is 6-bromo-3-(6-fluoroquinolin-3-yl)-5-[[[1-(methoxymethyl)cyclopropyl]amino]methyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-bromo-3-(6-fluoroquinolin-3-yl)-5-[[[1-(methoxymethyl)cyclopropyl]amino]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID70217317
Molecular FormulaC21H20BrFN6O
Molecular Weight471.33 g/mol
Exact Mass470.09
IUPAC Name6-bromo-3-(6-fluoroquinolin-3-yl)-5-[[[1-(methoxymethyl)cyclopropyl]amino]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOCC1(NCc2nc3c(-c4cnc5ccc(F)cc5c4)cnn3c(N)c2Br)CC1
InChIInChI=1S/C21H20BrFN6O/c1-30-11-21(4-5-21)26-10-17-18(22)19(24)29-20(28-17)15(9-27-29)13-6-12-7-14(23)2-3-16(12)25-8-13/h2-3,6-9,26H,4-5,10-11,24H2,1H3
InChIKeyLUQIQUQDGVMZFF-UHFFFAOYSA-N
XLogP3.70
TPSA90.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.33
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(6-fluoroquinolin-3-yl)-5-[[[1-(methoxymethyl)cyclopropyl]amino]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-bromo-3-(6-fluoroquinolin-3-yl)-5-[[[1-(methoxymethyl)cyclopropyl]amino]methyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 70217317) is 6-bromo-3-(6-fluoroquinolin-3-yl)-5-[[[1-(methoxymethyl)cyclopropyl]amino]methyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-bromo-3-(6-fluoroquinolin-3-yl)-5-[[[1-(methoxymethyl)cyclopropyl]amino]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-bromo-3-(6-fluoroquinolin-3-yl)-5-[[[1-(methoxymethyl)cyclopropyl]amino]methyl]pyrazolo[1,5-a]pyrimidin-7-amine is COCC1(NCc2nc3c(-c4cnc5ccc(F)cc5c4)cnn3c(N)c2Br)CC1.
What is the InChIKey of 6-bromo-3-(6-fluoroquinolin-3-yl)-5-[[[1-(methoxymethyl)cyclopropyl]amino]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is LUQIQUQDGVMZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrFN6O/c1-30-11-21(4-5-21)26-10-17-18(22)19(24)29-20(28-17)15(9-27-29)13-6-12-7-14(23)2-3-16(12)25-8-13/h2-3,6-9,26H,4-5,10-11,24H2,1H3.
What are the key properties of 6-bromo-3-(6-fluoroquinolin-3-yl)-5-[[[1-(methoxymethyl)cyclopropyl]amino]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
6-bromo-3-(6-fluoroquinolin-3-yl)-5-[[[1-(methoxymethyl)cyclopropyl]amino]methyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 471.33 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(6-fluoroquinolin-3-yl)-5-[[[1-(methoxymethyl)cyclopropyl]amino]methyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 70217317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).