(3,6-dibromopyrazolo[1,5-a]pyrimidin-2-yl)-piperidin-1-ylmethanone

C12H12Br2N4O — CID 4258733

IUPAC(3,6-dibromopyrazolo[1,5-a]pyrimidin-2-yl)-piperidin-1-ylmethanone
SMILESO=C(c1nn2cc(Br)cnc2c1Br)N1CCCCC1
InChIInChI=1S/C12H12Br2N4O/c13-8-6-15-11-9(14)10(16-18(11)7-8)12(19)17-4-2-1-3-5-17/h6-7H,1-5H2
InChIKeyDMMLDRWUYKWPBU-UHFFFAOYSA-N
MW388.06 g/mol
LogP2.88
Rot. Bonds1

About (3,6-dibromopyrazolo[1,5-a]pyrimidin-2-yl)-piperidin-1-ylmethanone

(3,6-dibromopyrazolo[1,5-a]pyrimidin-2-yl)-piperidin-1-ylmethanone (PubChem CID 4258733) has the molecular formula C12H12Br2N4O and a molecular weight of 388.06 g/mol. Its IUPAC name is (3,6-dibromopyrazolo[1,5-a]pyrimidin-2-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(3,6-dibromopyrazolo[1,5-a]pyrimidin-2-yl)-piperidin-1-ylmethanone
PubChem CID4258733
Molecular FormulaC12H12Br2N4O
Molecular Weight388.06 g/mol
Exact Mass385.94
IUPAC Name(3,6-dibromopyrazolo[1,5-a]pyrimidin-2-yl)-piperidin-1-ylmethanone
SMILESO=C(c1nn2cc(Br)cnc2c1Br)N1CCCCC1
InChIInChI=1S/C12H12Br2N4O/c13-8-6-15-11-9(14)10(16-18(11)7-8)12(19)17-4-2-1-3-5-17/h6-7H,1-5H2
InChIKeyDMMLDRWUYKWPBU-UHFFFAOYSA-N
XLogP2.88
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.06
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-3-chloro-N-propylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3094293
(6-Bromopyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone
CID 689338
3,6-dibromo-N-butylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3094294
(6-Bromopyrazolo[1,5-a]pyrimidin-2-yl)-piperidin-1-ylmethanone
CID 2842282
3,6-dibromo-N-propylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1733312
Pyrazolo[1,5-a]pyrimidine, 2-(4-morpholyl)carbonyl-3,6-dibromo-
CID 559943
(6-Bromo-3-chloropyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone
CID 840787
6-Bromopyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3094292
(6-Bromopyrazolo[1,5-a]pyrimidin-2-yl)(2-ethylpiperidin-1-yl)methanone
CID 2981648
6-Bromo-N-isobutylpyrazolo[1,5-A]pyrimidine-2-carboxamide
CID 4775733
2-[(4-Pyrimidin-2-ylpiperazin-1-yl)carbonyl]pyrazolo[1,5-a]pyrimidine
CID 74233841
(4-Ethylpiperidin-1-yl)-pyrazolo[1,5-a]pyrimidin-5-ylmethanone
CID 126834528

Frequently Asked Questions

What is the IUPAC name of (3,6-dibromopyrazolo[1,5-a]pyrimidin-2-yl)-piperidin-1-ylmethanone?
The IUPAC name of (3,6-dibromopyrazolo[1,5-a]pyrimidin-2-yl)-piperidin-1-ylmethanone (CID 4258733) is (3,6-dibromopyrazolo[1,5-a]pyrimidin-2-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (3,6-dibromopyrazolo[1,5-a]pyrimidin-2-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (3,6-dibromopyrazolo[1,5-a]pyrimidin-2-yl)-piperidin-1-ylmethanone is O=C(c1nn2cc(Br)cnc2c1Br)N1CCCCC1.
What is the InChIKey of (3,6-dibromopyrazolo[1,5-a]pyrimidin-2-yl)-piperidin-1-ylmethanone?
The InChIKey is DMMLDRWUYKWPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Br2N4O/c13-8-6-15-11-9(14)10(16-18(11)7-8)12(19)17-4-2-1-3-5-17/h6-7H,1-5H2.
What are the key properties of (3,6-dibromopyrazolo[1,5-a]pyrimidin-2-yl)-piperidin-1-ylmethanone?
(3,6-dibromopyrazolo[1,5-a]pyrimidin-2-yl)-piperidin-1-ylmethanone has a molecular weight of 388.06 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6-dibromopyrazolo[1,5-a]pyrimidin-2-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 4258733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).