tris[[3-[2-fluoro-4-[5-[(4S)-4-(5-fluoro-2-pyridinyl)-2-oxo-1,3-oxazolidin-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]-1,2,4-triazol-1-yl]methyl] phosphate

C69H45F6N24O10P — CID 87243898

IUPACtris[[3-[2-fluoro-4-[5-[(4S)-4-(5-fluoro-2-pyridinyl)-2-oxo-1,3-oxazolidin-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]-1,2,4-triazol-1-yl]methyl] phosphate
SMILESO=C1OC[C@H](c2ccc(F)cn2)N1c1ccn2ncc(-c3ccc(-c4ncn(COP(=O)(OCn5cnc(-c6ccc(-c7cnn8ccc(N9C(=O)OC[C@@H]9c9ccc(F)cn9)nc78)cc6F)n5)OCn5cnc(-c6ccc(-c7cnn8ccc(N9C(=O)OC[C@@H]9c9ccc(F)cn9)nc78)cc6F)n5)n4)c(F)c3)c2n1
InChIInChI=1S/C69H45F6N24O10P/c70-40-4-10-52(76-22-40)55-28-104-67(100)97(55)58-13-16-94-64(85-58)46(25-82-94)37-1-7-43(49(73)19-37)61-79-31-91(88-61)34-107-110(103,108-35-92-32-80-62(89-92)44-8-2-38(20-50(44)74)47-26-83-95-17-14-59(86-65(47)95)98-56(29-105-68(98)101)53-11-5-41(71)23-77-53)109-36-93-33-81-63(90-93)45-9-3-39(21-51(45)75)48-27-84-96-18-15-60(87-66(48)96)99-57(30-106-69(99)102)54-12-6-42(72)24-78-54/h1-27,31-33,55-57H,28-30,34-36H2/t55-,56-,57-/m1/s1
InChIKeyCRTPFBNOIATCFT-WRLKWCGOSA-N
MW1515.24 g/mol
LogP11.14
Rot. Bonds21

About tris[[3-[2-fluoro-4-[5-[(4S)-4-(5-fluoro-2-pyridinyl)-2-oxo-1,3-oxazolidin-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]-1,2,4-triazol-1-yl]methyl] phosphate

tris[[3-[2-fluoro-4-[5-[(4S)-4-(5-fluoro-2-pyridinyl)-2-oxo-1,3-oxazolidin-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]-1,2,4-triazol-1-yl]methyl] phosphate (PubChem CID 87243898) has the molecular formula C69H45F6N24O10P and a molecular weight of 1515.24 g/mol. Its IUPAC name is tris[[3-[2-fluoro-4-[5-[(4S)-4-(5-fluoro-2-pyridinyl)-2-oxo-1,3-oxazolidin-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]-1,2,4-triazol-1-yl]methyl] phosphate.

Molecular Properties

Compound Nametris[[3-[2-fluoro-4-[5-[(4S)-4-(5-fluoro-2-pyridinyl)-2-oxo-1,3-oxazolidin-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]-1,2,4-triazol-1-yl]methyl] phosphate
PubChem CID87243898
Molecular FormulaC69H45F6N24O10P
Molecular Weight1515.24 g/mol
Exact Mass1514.34
IUPAC Nametris[[3-[2-fluoro-4-[5-[(4S)-4-(5-fluoro-2-pyridinyl)-2-oxo-1,3-oxazolidin-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]-1,2,4-triazol-1-yl]methyl] phosphate
SMILESO=C1OC[C@H](c2ccc(F)cn2)N1c1ccn2ncc(-c3ccc(-c4ncn(COP(=O)(OCn5cnc(-c6ccc(-c7cnn8ccc(N9C(=O)OC[C@@H]9c9ccc(F)cn9)nc78)cc6F)n5)OCn5cnc(-c6ccc(-c7cnn8ccc(N9C(=O)OC[C@@H]9c9ccc(F)cn9)nc78)cc6F)n5)n4)c(F)c3)c2n1
InChIInChI=1S/C69H45F6N24O10P/c70-40-4-10-52(76-22-40)55-28-104-67(100)97(55)58-13-16-94-64(85-58)46(25-82-94)37-1-7-43(49(73)19-37)61-79-31-91(88-61)34-107-110(103,108-35-92-32-80-62(89-92)44-8-2-38(20-50(44)74)47-26-83-95-17-14-59(86-65(47)95)98-56(29-105-68(98)101)53-11-5-41(71)23-77-53)109-36-93-33-81-63(90-93)45-9-3-39(21-51(45)75)48-27-84-96-18-15-60(87-66(48)96)99-57(30-106-69(99)102)54-12-6-42(72)24-78-54/h1-27,31-33,55-57H,28-30,34-36H2/t55-,56-,57-/m1/s1
InChIKeyCRTPFBNOIATCFT-WRLKWCGOSA-N
XLogP11.14
TPSA354.75 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds21
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001515.24
LogP ≤ 511.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze tris[[3-[2-fluoro-4-[5-[(4S)-4-(5-fluoro-2-pyridinyl)-2-oxo-1,3-oxazolidin-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]-1,2,4-triazol-1-yl]methyl] phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tris[[3-[2-fluoro-4-[5-[(4S)-4-(5-fluoro-2-pyridinyl)-2-oxo-1,3-oxazolidin-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]-1,2,4-triazol-1-yl]methyl] phosphate?
The IUPAC name of tris[[3-[2-fluoro-4-[5-[(4S)-4-(5-fluoro-2-pyridinyl)-2-oxo-1,3-oxazolidin-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]-1,2,4-triazol-1-yl]methyl] phosphate (CID 87243898) is tris[[3-[2-fluoro-4-[5-[(4S)-4-(5-fluoro-2-pyridinyl)-2-oxo-1,3-oxazolidin-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]-1,2,4-triazol-1-yl]methyl] phosphate.
What is the SMILES notation for tris[[3-[2-fluoro-4-[5-[(4S)-4-(5-fluoro-2-pyridinyl)-2-oxo-1,3-oxazolidin-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]-1,2,4-triazol-1-yl]methyl] phosphate?
The canonical SMILES for tris[[3-[2-fluoro-4-[5-[(4S)-4-(5-fluoro-2-pyridinyl)-2-oxo-1,3-oxazolidin-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]-1,2,4-triazol-1-yl]methyl] phosphate is O=C1OC[C@H](c2ccc(F)cn2)N1c1ccn2ncc(-c3ccc(-c4ncn(COP(=O)(OCn5cnc(-c6ccc(-c7cnn8ccc(N9C(=O)OC[C@@H]9c9ccc(F)cn9)nc78)cc6F)n5)OCn5cnc(-c6ccc(-c7cnn8ccc(N9C(=O)OC[C@@H]9c9ccc(F)cn9)nc78)cc6F)n5)n4)c(F)c3)c2n1.
What is the InChIKey of tris[[3-[2-fluoro-4-[5-[(4S)-4-(5-fluoro-2-pyridinyl)-2-oxo-1,3-oxazolidin-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]-1,2,4-triazol-1-yl]methyl] phosphate?
The InChIKey is CRTPFBNOIATCFT-WRLKWCGOSA-N. The full InChI is InChI=1S/C69H45F6N24O10P/c70-40-4-10-52(76-22-40)55-28-104-67(100)97(55)58-13-16-94-64(85-58)46(25-82-94)37-1-7-43(49(73)19-37)61-79-31-91(88-61)34-107-110(103,108-35-92-32-80-62(89-92)44-8-2-38(20-50(44)74)47-26-83-95-17-14-59(86-65(47)95)98-56(29-105-68(98)101)53-11-5-41(71)23-77-53)109-36-93-33-81-63(90-93)45-9-3-39(21-51(45)75)48-27-84-96-18-15-60(87-66(48)96)99-57(30-106-69(99)102)54-12-6-42(72)24-78-54/h1-27,31-33,55-57H,28-30,34-36H2/t55-,56-,57-/m1/s1.
What are the key properties of tris[[3-[2-fluoro-4-[5-[(4S)-4-(5-fluoro-2-pyridinyl)-2-oxo-1,3-oxazolidin-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]-1,2,4-triazol-1-yl]methyl] phosphate?
tris[[3-[2-fluoro-4-[5-[(4S)-4-(5-fluoro-2-pyridinyl)-2-oxo-1,3-oxazolidin-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]-1,2,4-triazol-1-yl]methyl] phosphate has a molecular weight of 1515.24 g/mol, XLogP of 11.14, 21 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for tris[[3-[2-fluoro-4-[5-[(4S)-4-(5-fluoro-2-pyridinyl)-2-oxo-1,3-oxazolidin-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]-1,2,4-triazol-1-yl]methyl] phosphate is sourced from PubChem (CID 87243898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).