6-bromo-3-(6-fluoroquinolin-3-yl)-5-(4-methoxycyclohexyl)pyrazolo[1,5-a]pyrimidin-7-amine

C22H21BrFN5O — CID 121408166

IUPAC6-bromo-3-(6-fluoroquinolin-3-yl)-5-(4-methoxycyclohexyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOC1CCC(c2nc3c(-c4cnc5ccc(F)cc5c4)cnn3c(N)c2Br)CC1
InChIInChI=1S/C22H21BrFN5O/c1-30-16-5-2-12(3-6-16)20-19(23)21(25)29-22(28-20)17(11-27-29)14-8-13-9-15(24)4-7-18(13)26-10-14/h4,7-12,16H,2-3,5-6,25H2,1H3
InChIKeyQNHNSKRENQYKND-UHFFFAOYSA-N
MW470.35 g/mol
LogP5.10
Rot. Bonds3

About 6-bromo-3-(6-fluoroquinolin-3-yl)-5-(4-methoxycyclohexyl)pyrazolo[1,5-a]pyrimidin-7-amine

6-bromo-3-(6-fluoroquinolin-3-yl)-5-(4-methoxycyclohexyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 121408166) has the molecular formula C22H21BrFN5O and a molecular weight of 470.35 g/mol. Its IUPAC name is 6-bromo-3-(6-fluoroquinolin-3-yl)-5-(4-methoxycyclohexyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-bromo-3-(6-fluoroquinolin-3-yl)-5-(4-methoxycyclohexyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID121408166
Molecular FormulaC22H21BrFN5O
Molecular Weight470.35 g/mol
Exact Mass469.09
IUPAC Name6-bromo-3-(6-fluoroquinolin-3-yl)-5-(4-methoxycyclohexyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOC1CCC(c2nc3c(-c4cnc5ccc(F)cc5c4)cnn3c(N)c2Br)CC1
InChIInChI=1S/C22H21BrFN5O/c1-30-16-5-2-12(3-6-16)20-19(23)21(25)29-22(28-20)17(11-27-29)14-8-13-9-15(24)4-7-18(13)26-10-14/h4,7-12,16H,2-3,5-6,25H2,1H3
InChIKeyQNHNSKRENQYKND-UHFFFAOYSA-N
XLogP5.10
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.35
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-bromo-5-(4-methoxycyclohexyl)-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 121408231
6-bromo-3-(6-fluoroquinolin-3-yl)-5-[[(3-methoxyoxan-4-yl)amino]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 67494347
6-bromo-5-(1-methylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 58173335
6-bromo-3-(6-fluoroquinolin-3-yl)-5-[[[1-(methoxymethyl)cyclopropyl]amino]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 70217317
6-bromo-5-piperidin-3-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 67494420
6-bromo-3-quinolin-3-yl-5-[4-(2H-tetrazol-5-ylmethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 58173543
6-bromo-3-(6-fluoroquinolin-3-yl)-5-[[(1-propan-2-ylsulfonylpiperidin-4-yl)amino]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 70217185
4-(7-amino-6-bromo-3-thieno[2,3-b]pyridin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid
CID 70214157
5-(1-aminoethyl)-3-(6-fluoroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 121366924
4-[3-(6-fluoroquinolin-3-yl)-6-(hydroxymethyl)-7-methylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexan-1-one
CID 90816696
[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-(1,2-oxazol-4-yl)methanone
CID 70217667
N-[1-[7-amino-6-bromo-3-(6-fluoroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2,2-dimethylpropanamide
CID 70215857

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(6-fluoroquinolin-3-yl)-5-(4-methoxycyclohexyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-bromo-3-(6-fluoroquinolin-3-yl)-5-(4-methoxycyclohexyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 121408166) is 6-bromo-3-(6-fluoroquinolin-3-yl)-5-(4-methoxycyclohexyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-bromo-3-(6-fluoroquinolin-3-yl)-5-(4-methoxycyclohexyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-bromo-3-(6-fluoroquinolin-3-yl)-5-(4-methoxycyclohexyl)pyrazolo[1,5-a]pyrimidin-7-amine is COC1CCC(c2nc3c(-c4cnc5ccc(F)cc5c4)cnn3c(N)c2Br)CC1.
What is the InChIKey of 6-bromo-3-(6-fluoroquinolin-3-yl)-5-(4-methoxycyclohexyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is QNHNSKRENQYKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrFN5O/c1-30-16-5-2-12(3-6-16)20-19(23)21(25)29-22(28-20)17(11-27-29)14-8-13-9-15(24)4-7-18(13)26-10-14/h4,7-12,16H,2-3,5-6,25H2,1H3.
What are the key properties of 6-bromo-3-(6-fluoroquinolin-3-yl)-5-(4-methoxycyclohexyl)pyrazolo[1,5-a]pyrimidin-7-amine?
6-bromo-3-(6-fluoroquinolin-3-yl)-5-(4-methoxycyclohexyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 470.35 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(6-fluoroquinolin-3-yl)-5-(4-methoxycyclohexyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 121408166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).