4-[5-[6-acetyl-7-amino-5-[8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]-1,3-oxazolidin-2-one

C26H26N10O4 — CID 77261136

IUPAC4-[5-[6-acetyl-7-amino-5-[8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]-1,3-oxazolidin-2-one
SMILESCC(=O)c1c(C2CC3CCC(C2)N3C(=O)c2ncn[nH]2)nc2c(-c3ccc(C4COC(=O)N4)nc3)cnn2c1N
InChIInChI=1S/C26H26N10O4/c1-12(37)20-21(14-6-15-3-4-16(7-14)35(15)25(38)23-29-11-30-34-23)33-24-17(9-31-36(24)22(20)27)13-2-5-18(28-8-13)19-10-40-26(39)32-19/h2,5,8-9,11,14-16,19H,3-4,6-7,10,27H2,1H3,(H,32,39)(H,29,30,34)
InChIKeyMNAFBLVOKGLAKO-UHFFFAOYSA-N
MW542.56 g/mol
LogP2.03
Rot. Bonds5

About 4-[5-[6-acetyl-7-amino-5-[8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]-1,3-oxazolidin-2-one

4-[5-[6-acetyl-7-amino-5-[8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]-1,3-oxazolidin-2-one (PubChem CID 77261136) has the molecular formula C26H26N10O4 and a molecular weight of 542.56 g/mol. Its IUPAC name is 4-[5-[6-acetyl-7-amino-5-[8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-[5-[6-acetyl-7-amino-5-[8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]-1,3-oxazolidin-2-one
PubChem CID77261136
Molecular FormulaC26H26N10O4
Molecular Weight542.56 g/mol
Exact Mass542.21
IUPAC Name4-[5-[6-acetyl-7-amino-5-[8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]-1,3-oxazolidin-2-one
SMILESCC(=O)c1c(C2CC3CCC(C2)N3C(=O)c2ncn[nH]2)nc2c(-c3ccc(C4COC(=O)N4)nc3)cnn2c1N
InChIInChI=1S/C26H26N10O4/c1-12(37)20-21(14-6-15-3-4-16(7-14)35(15)25(38)23-29-11-30-34-23)33-24-17(9-31-36(24)22(20)27)13-2-5-18(28-8-13)19-10-40-26(39)32-19/h2,5,8-9,11,14-16,19H,3-4,6-7,10,27H2,1H3,(H,32,39)(H,29,30,34)
InChIKeyMNAFBLVOKGLAKO-UHFFFAOYSA-N
XLogP2.03
TPSA186.38 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.56
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 4-[5-[6-acetyl-7-amino-5-[8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

1-[7-amino-3-[6-(2-fluorophenyl)-3-pyridinyl]-5-[(1R,5S)-8-(5-methyl-1H-1,2,4-triazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 67294336
1-[(1S,5R)-3-[6-acetyl-7-amino-3-[5-fluoro-6-(1H-pyrazol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyethanone
CID 67294428
1-[7-amino-3-[6-(3-fluorophenyl)-3-pyridinyl]-5-[(1R,5S)-8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 67294512
1-[7-amino-3-[6-(2,4-difluorophenyl)-3-pyridinyl]-5-[(1R,5S)-8-(5-methyl-1H-1,2,4-triazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 67294523
1-[7-amino-3-[5-fluoro-6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-[(1R,5S)-8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 67294560
1-[7-amino-3-[6-(2-fluorophenyl)-3-pyridinyl]-5-[(1R,5S)-8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 67294599
1-[7-amino-3-[6-(2,4-difluorophenyl)-3-pyridinyl]-5-[(1R,5S)-8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 67294601
1-[7-amino-3-[6-(4-fluoro-1-methylpyrazol-3-yl)-3-pyridinyl]-5-[(1R,5S)-8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 67294610
1-[7-amino-3-[6-(2,3-difluorophenyl)-3-pyridinyl]-5-[(1R,5S)-8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 67294658
1-[7-amino-5-[(1R,5S)-8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-3-[6-(trifluoromethyl)pyridin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 67294702
1-[(1S,5R)-3-[6-acetyl-7-amino-3-[6-(4-fluoro-1-methylpyrazol-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyethanone
CID 67294783
1-[7-amino-5-[(1R,5S)-8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-3-[6-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 67294791

Frequently Asked Questions

What is the IUPAC name of 4-[5-[6-acetyl-7-amino-5-[8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-[5-[6-acetyl-7-amino-5-[8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]-1,3-oxazolidin-2-one (CID 77261136) is 4-[5-[6-acetyl-7-amino-5-[8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-[5-[6-acetyl-7-amino-5-[8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-[5-[6-acetyl-7-amino-5-[8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]-1,3-oxazolidin-2-one is CC(=O)c1c(C2CC3CCC(C2)N3C(=O)c2ncn[nH]2)nc2c(-c3ccc(C4COC(=O)N4)nc3)cnn2c1N.
What is the InChIKey of 4-[5-[6-acetyl-7-amino-5-[8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]-1,3-oxazolidin-2-one?
The InChIKey is MNAFBLVOKGLAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N10O4/c1-12(37)20-21(14-6-15-3-4-16(7-14)35(15)25(38)23-29-11-30-34-23)33-24-17(9-31-36(24)22(20)27)13-2-5-18(28-8-13)19-10-40-26(39)32-19/h2,5,8-9,11,14-16,19H,3-4,6-7,10,27H2,1H3,(H,32,39)(H,29,30,34).
What are the key properties of 4-[5-[6-acetyl-7-amino-5-[8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]-1,3-oxazolidin-2-one?
4-[5-[6-acetyl-7-amino-5-[8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]-1,3-oxazolidin-2-one has a molecular weight of 542.56 g/mol, XLogP of 2.03, 5 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[6-acetyl-7-amino-5-[8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 77261136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).