6-bromo-3-(1-methylpyrrol-3-yl)-5-[(2R)-oxan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine

C16H18BrN5O — CID 58364723

IUPAC6-bromo-3-(1-methylpyrrol-3-yl)-5-[(2R)-oxan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCn1ccc(-c2cnn3c(N)c(Br)c([C@H]4CCCCO4)nc23)c1
InChIInChI=1S/C16H18BrN5O/c1-21-6-5-10(9-21)11-8-19-22-15(18)13(17)14(20-16(11)22)12-4-2-3-7-23-12/h5-6,8-9,12H,2-4,7,18H2,1H3/t12-/m1/s1
InChIKeyBQEDDPUCPIKWSZ-GFCCVEGCSA-N
MW376.26 g/mol
LogP3.32
Rot. Bonds2

About 6-bromo-3-(1-methylpyrrol-3-yl)-5-[(2R)-oxan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine

6-bromo-3-(1-methylpyrrol-3-yl)-5-[(2R)-oxan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 58364723) has the molecular formula C16H18BrN5O and a molecular weight of 376.26 g/mol. Its IUPAC name is 6-bromo-3-(1-methylpyrrol-3-yl)-5-[(2R)-oxan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-bromo-3-(1-methylpyrrol-3-yl)-5-[(2R)-oxan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID58364723
Molecular FormulaC16H18BrN5O
Molecular Weight376.26 g/mol
Exact Mass375.07
IUPAC Name6-bromo-3-(1-methylpyrrol-3-yl)-5-[(2R)-oxan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCn1ccc(-c2cnn3c(N)c(Br)c([C@H]4CCCCO4)nc23)c1
InChIInChI=1S/C16H18BrN5O/c1-21-6-5-10(9-21)11-8-19-22-15(18)13(17)14(20-16(11)22)12-4-2-3-7-23-12/h5-6,8-9,12H,2-4,7,18H2,1H3/t12-/m1/s1
InChIKeyBQEDDPUCPIKWSZ-GFCCVEGCSA-N
XLogP3.32
TPSA70.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.26
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2r,3s,5r)-2-(2,5-Difluorophenyl)-5-(7h-Pyrrolo[3',4':3,4]pyrazolo[1,5-A]pyrimidin-8(9h)-Yl)oxan-3-Amine
CID 24951732
(2R,3S,5R)-5-(11-methyl-4,7,8,12-tetrazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraen-4-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine
CID 127050132
(2R,3S,5R)-5-(9-methyl-4,7,8,12-tetrazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraen-4-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine
CID 127050761
(2R,3S,5R)-5-(11-methyl-1,4,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-4-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine
CID 127051045
(2R,3S,5R)-2-(2,5-difluorophenyl)-5-(11-methyl-1,4,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-4-yl)oxan-3-amine
CID 127052289
2-(Methoxymethyl)-3,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 2236969
6-bromo-3-(1-methyl-1H-pyrazol-4-yl)-5-(morpholin-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16226178
7-Amino-2-(methoxymethyl)-3-phenylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 2235995
(2R,3S,5S)-5-(11-methyl-4,7,8,12-tetrazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraen-4-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine
CID 127048874
(2R,3S,5S)-5-(9-methyl-4,7,8,12-tetrazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraen-4-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine
CID 127048876
(2R,3S,5R)-5-[9-(trifluoromethyl)-4,7,8,12-tetrazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraen-4-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine
CID 127049179
(2R,3S,5R)-2-(2,5-difluorophenyl)-5-(11-methyl-4,7,8,12-tetrazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraen-4-yl)oxan-3-amine
CID 127049204

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(1-methylpyrrol-3-yl)-5-[(2R)-oxan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-bromo-3-(1-methylpyrrol-3-yl)-5-[(2R)-oxan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 58364723) is 6-bromo-3-(1-methylpyrrol-3-yl)-5-[(2R)-oxan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-bromo-3-(1-methylpyrrol-3-yl)-5-[(2R)-oxan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-bromo-3-(1-methylpyrrol-3-yl)-5-[(2R)-oxan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine is Cn1ccc(-c2cnn3c(N)c(Br)c([C@H]4CCCCO4)nc23)c1.
What is the InChIKey of 6-bromo-3-(1-methylpyrrol-3-yl)-5-[(2R)-oxan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is BQEDDPUCPIKWSZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18BrN5O/c1-21-6-5-10(9-21)11-8-19-22-15(18)13(17)14(20-16(11)22)12-4-2-3-7-23-12/h5-6,8-9,12H,2-4,7,18H2,1H3/t12-/m1/s1.
What are the key properties of 6-bromo-3-(1-methylpyrrol-3-yl)-5-[(2R)-oxan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
6-bromo-3-(1-methylpyrrol-3-yl)-5-[(2R)-oxan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 376.26 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(1-methylpyrrol-3-yl)-5-[(2R)-oxan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 58364723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).