(6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]methanone

C17H14BrFN4O — CID 51548435

IUPAC(6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cnn2cc(Br)cnc12)N1CCC[C@@H]1c1ccccc1F
InChIInChI=1S/C17H14BrFN4O/c18-11-8-20-16-13(9-21-23(16)10-11)17(24)22-7-3-6-15(22)12-4-1-2-5-14(12)19/h1-2,4-5,8-10,15H,3,6-7H2/t15-/m1/s1
InChIKeySTPANIHFWRIWMV-OAHLLOKOSA-N
MW389.23 g/mol
LogP3.61
Rot. Bonds2

About (6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]methanone

(6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]methanone (PubChem CID 51548435) has the molecular formula C17H14BrFN4O and a molecular weight of 389.23 g/mol. Its IUPAC name is (6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]methanone
PubChem CID51548435
Molecular FormulaC17H14BrFN4O
Molecular Weight389.23 g/mol
Exact Mass388.03
IUPAC Name(6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cnn2cc(Br)cnc12)N1CCC[C@@H]1c1ccccc1F
InChIInChI=1S/C17H14BrFN4O/c18-11-8-20-16-13(9-21-23(16)10-11)17(24)22-7-3-6-15(22)12-4-1-2-5-14(12)19/h1-2,4-5,8-10,15H,3,6-7H2/t15-/m1/s1
InChIKeySTPANIHFWRIWMV-OAHLLOKOSA-N
XLogP3.61
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.23
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 51548406
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CID 50809692
(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 56873890
(6-bromo-1H-indol-3-yl)-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]methanone
CID 178095009
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CID 51856497
[2-(2-chlorophenyl)pyrrolidin-1-yl]-(4-chloro-3-pyridinyl)methanone
CID 81228562
[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-[(2S)-2-(2-fluorophenyl)azetidin-1-yl]methanone
CID 124733378
[2-(2-fluorophenyl)pyrrolidin-1-yl]-[6-(1H-pyrazol-4-yl)-1H-indol-3-yl]methanone
CID 178095115
[2-(4-methoxyphenyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 20895587
[(2R)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 124982655
1-(6-bromopyrazolo[1,5-a]pyrimidine-3-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122117097
[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of (6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]methanone (CID 51548435) is (6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]methanone is O=C(c1cnn2cc(Br)cnc12)N1CCC[C@@H]1c1ccccc1F.
What is the InChIKey of (6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]methanone?
The InChIKey is STPANIHFWRIWMV-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H14BrFN4O/c18-11-8-20-16-13(9-21-23(16)10-11)17(24)22-7-3-6-15(22)12-4-1-2-5-14(12)19/h1-2,4-5,8-10,15H,3,6-7H2/t15-/m1/s1.
What are the key properties of (6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]methanone?
(6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]methanone has a molecular weight of 389.23 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 51548435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).