(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone;ethane

C32H32Br2N8O3S — CID 143619325

IUPAC(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone;ethane
SMILESCC.CC1c2ccoc2CCN1C(=O)c1cc2ncc(Br)cn2n1.CC1c2ccsc2CCN1C(=O)c1cc2ncc(Br)cn2n1
InChIInChI=1S/C15H13BrN4O2.C15H13BrN4OS.C2H6/c2*1-9-11-3-5-22-13(11)2-4-19(9)15(21)12-6-14-17-7-10(16)8-20(14)18-12;1-2/h2*3,5-9H,2,4H2,1H3;1-2H3
InChIKeyZSEOMTGBVNGVJW-UHFFFAOYSA-N
MW768.54 g/mol
LogP7.18
Rot. Bonds2

About (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone;ethane

(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone;ethane (PubChem CID 143619325) has the molecular formula C32H32Br2N8O3S and a molecular weight of 768.54 g/mol. Its IUPAC name is (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone;ethane.

Molecular Properties

Compound Name(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone;ethane
PubChem CID143619325
Molecular FormulaC32H32Br2N8O3S
Molecular Weight768.54 g/mol
Exact Mass766.07
IUPAC Name(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone;ethane
SMILESCC.CC1c2ccoc2CCN1C(=O)c1cc2ncc(Br)cn2n1.CC1c2ccsc2CCN1C(=O)c1cc2ncc(Br)cn2n1
InChIInChI=1S/C15H13BrN4O2.C15H13BrN4OS.C2H6/c2*1-9-11-3-5-22-13(11)2-4-19(9)15(21)12-6-14-17-7-10(16)8-20(14)18-12;1-2/h2*3,5-9H,2,4H2,1H3;1-2H3
InChIKeyZSEOMTGBVNGVJW-UHFFFAOYSA-N
XLogP7.18
TPSA114.14 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.54
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone;ethane with MolForge

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Related Compounds

US10100058, Example 352
CID 134539721
US10100058, Example 350
CID 134540107
US10100058, Example 354
CID 134539984
4-[6-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)thiophene-2-carboxamide
CID 59603895
[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[4-(furan-2-yl)-1-methylpyrazol-5-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
CID 162287395
6-Bromo-2-[(4-methyl-6,7-dihydrofuro[3,2-c]pyridin-5(4H)-yl)carbonyl]pyrazolo[1,5-a]pyrimidine
CID 23728596
(6-Bromo-pyrazolo[1,5-a]pyrimidin-2-yl)-(6-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-methanone
CID 24899495
(6-Bromo-pyrazolo[1,5-a]pyrimidin-2-yl)-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-methanone
CID 24899752
N-[2-(furan-2-yl)ethyl]-4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide
CID 59603847
(6-Bromo-pyrazolo[1,5-a]pyrimidin-2-yl)-(6-furan-3-yl-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-methanone
CID 66847020
N-[2-(diethylamino)propyl]-2-(2-morpholin-4-ylethoxy)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
CID 134539725
N-[2-(diethylamino)propyl]-2-(pyridin-3-ylmethoxy)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
CID 134539986

Frequently Asked Questions

What is the IUPAC name of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone;ethane?
The IUPAC name of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone;ethane (CID 143619325) is (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone;ethane.
What is the SMILES notation for (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone;ethane?
The canonical SMILES for (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone;ethane is CC.CC1c2ccoc2CCN1C(=O)c1cc2ncc(Br)cn2n1.CC1c2ccsc2CCN1C(=O)c1cc2ncc(Br)cn2n1.
What is the InChIKey of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone;ethane?
The InChIKey is ZSEOMTGBVNGVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O2.C15H13BrN4OS.C2H6/c2*1-9-11-3-5-22-13(11)2-4-19(9)15(21)12-6-14-17-7-10(16)8-20(14)18-12;1-2/h2*3,5-9H,2,4H2,1H3;1-2H3.
What are the key properties of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone;ethane?
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone;ethane has a molecular weight of 768.54 g/mol, XLogP of 7.18, 2 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone;ethane is sourced from PubChem (CID 143619325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).