(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

C14H15BrN4O3 — CID 1257249

IUPAC(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESO=C(c1cc2ncc(Br)cn2n1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C14H15BrN4O3/c15-10-8-16-12-7-11(17-19(12)9-10)13(20)18-3-1-14(2-4-18)21-5-6-22-14/h7-9H,1-6H2
InChIKeyZIOPGSSCEWHKJM-UHFFFAOYSA-N
MW367.20 g/mol
LogP1.47
Rot. Bonds1

About (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (PubChem CID 1257249) has the molecular formula C14H15BrN4O3 and a molecular weight of 367.20 g/mol. Its IUPAC name is (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.

Molecular Properties

Compound Name(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
PubChem CID1257249
Molecular FormulaC14H15BrN4O3
Molecular Weight367.20 g/mol
Exact Mass366.03
IUPAC Name(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESO=C(c1cc2ncc(Br)cn2n1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C14H15BrN4O3/c15-10-8-16-12-7-11(17-19(12)9-10)13(20)18-3-1-14(2-4-18)21-5-6-22-14/h7-9H,1-6H2
InChIKeyZIOPGSSCEWHKJM-UHFFFAOYSA-N
XLogP1.47
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.20
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(6-Bromopyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone
CID 689338
(6-Bromopyrazolo[1,5-a]pyrimidin-2-yl)-piperidin-1-ylmethanone
CID 2842282
Ethyl 1-[(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)carbonyl]-3-piperidinecarboxylate
CID 2982630
6-bromo-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2237560
Pyrazolo[1,5-a]pyrimidine, 2-(4-morpholyl)carbonyl-3,6-dibromo-
CID 559943
6-bromo-N-(tetrahydrofuran-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2978527
(6-Bromopyrazolo[1,5-a]pyrimidin-2-yl)(2-ethylpiperidin-1-yl)methanone
CID 2981648
[(3S)-3-(propoxymethyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
CID 125515590
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[3-(2-fluoro-2,3-dihydropyridin-5-yl)-8-methyl-3,5,6,8-tetrahydro-2H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 163505107
3,6-Dibromo-2-(1-piperidinylcarbonyl)pyrazolo[1,5-a]pyrimidine
CID 4258733
6-Bromo-2-[(4-methyl-1-piperazinyl)carbonyl]pyrazolo[1,5-a]pyrimidine
CID 2237493
6-bromo-N-[3-(morpholin-4-yl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2981793

Frequently Asked Questions

What is the IUPAC name of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The IUPAC name of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (CID 1257249) is (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.
What is the SMILES notation for (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The canonical SMILES for (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is O=C(c1cc2ncc(Br)cn2n1)N1CCC2(CC1)OCCO2.
What is the InChIKey of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The InChIKey is ZIOPGSSCEWHKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O3/c15-10-8-16-12-7-11(17-19(12)9-10)13(20)18-3-1-14(2-4-18)21-5-6-22-14/h7-9H,1-6H2.
What are the key properties of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone has a molecular weight of 367.20 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is sourced from PubChem (CID 1257249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).