5-[4-[(3-hydroxyoxetan-3-yl)methoxy]phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;3-hydroxy-N-[4-(4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]pyrrolidine-1-carboxamide;5-[4-(2-hydroxypropoxy)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;7-[4-(2-hydroxypropoxy)phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one

C87H78N14O13 — CID 157473527

IUPAC5-[4-[(3-hydroxyoxetan-3-yl)methoxy]phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;3-hydroxy-N-[4-(4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]pyrrolidine-1-carboxamide;5-[4-(2-hydroxypropoxy)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;7-[4-(2-hydroxypropoxy)phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one
SMILESCC(O)COc1ccc(-c2cn(-c3ccccc3)c3c(=O)[nH]cnc23)cc1.CC(O)COc1ccc(-c2cn(-c3ccccc3)c3nc[nH]c(=O)c23)cc1.O=C(Nc1ccc(-c2cn(-c3ccccc3)c3nc[nH]c(=O)c23)cc1)N1CCC(O)C1.O=c1[nH]cnc2c1c(-c1ccc(OCC3(O)COC3)cc1)cn2-c1ccccc1
InChIInChI=1S/C23H21N5O3.C22H19N3O4.2C21H19N3O3/c29-18-10-11-27(12-18)23(31)26-16-8-6-15(7-9-16)19-13-28(17-4-2-1-3-5-17)21-20(19)22(30)25-14-24-21;26-21-19-18(10-25(20(19)23-14-24-21)16-4-2-1-3-5-16)15-6-8-17(9-7-15)29-13-22(27)11-28-12-22;1-14(25)12-27-17-9-7-15(8-10-17)18-11-24(16-5-3-2-4-6-16)20-19(18)22-13-23-21(20)26;1-14(25)12-27-17-9-7-15(8-10-17)18-11-24(16-5-3-2-4-6-16)20-19(18)21(26)23-13-22-20/h1-9,13-14,18,29H,10-12H2,(H,26,31)(H,24,25,30);1-10,14,27H,11-13H2,(H,23,24,26);2*2-11,13-14,25H,12H2,1H3,(H,22,23,26)
InChIKeyBVHWHDLOQSMVTN-UHFFFAOYSA-N
MW1527.67 g/mol
LogP11.78
Rot. Bonds18

About 5-[4-[(3-hydroxyoxetan-3-yl)methoxy]phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;3-hydroxy-N-[4-(4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]pyrrolidine-1-carboxamide;5-[4-(2-hydroxypropoxy)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;7-[4-(2-hydroxypropoxy)phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one

5-[4-[(3-hydroxyoxetan-3-yl)methoxy]phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;3-hydroxy-N-[4-(4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]pyrrolidine-1-carboxamide;5-[4-(2-hydroxypropoxy)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;7-[4-(2-hydroxypropoxy)phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 157473527) has the molecular formula C87H78N14O13 and a molecular weight of 1527.67 g/mol. Its IUPAC name is 5-[4-[(3-hydroxyoxetan-3-yl)methoxy]phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;3-hydroxy-N-[4-(4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]pyrrolidine-1-carboxamide;5-[4-(2-hydroxypropoxy)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;7-[4-(2-hydroxypropoxy)phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[4-[(3-hydroxyoxetan-3-yl)methoxy]phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;3-hydroxy-N-[4-(4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]pyrrolidine-1-carboxamide;5-[4-(2-hydroxypropoxy)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;7-[4-(2-hydroxypropoxy)phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one
PubChem CID157473527
Molecular FormulaC87H78N14O13
Molecular Weight1527.67 g/mol
Exact Mass1526.59
IUPAC Name5-[4-[(3-hydroxyoxetan-3-yl)methoxy]phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;3-hydroxy-N-[4-(4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]pyrrolidine-1-carboxamide;5-[4-(2-hydroxypropoxy)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;7-[4-(2-hydroxypropoxy)phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one
SMILESCC(O)COc1ccc(-c2cn(-c3ccccc3)c3c(=O)[nH]cnc23)cc1.CC(O)COc1ccc(-c2cn(-c3ccccc3)c3nc[nH]c(=O)c23)cc1.O=C(Nc1ccc(-c2cn(-c3ccccc3)c3nc[nH]c(=O)c23)cc1)N1CCC(O)C1.O=c1[nH]cnc2c1c(-c1ccc(OCC3(O)COC3)cc1)cn2-c1ccccc1
InChIInChI=1S/C23H21N5O3.C22H19N3O4.2C21H19N3O3/c29-18-10-11-27(12-18)23(31)26-16-8-6-15(7-9-16)19-13-28(17-4-2-1-3-5-17)21-20(19)22(30)25-14-24-21;26-21-19-18(10-25(20(19)23-14-24-21)16-4-2-1-3-5-16)15-6-8-17(9-7-15)29-13-22(27)11-28-12-22;1-14(25)12-27-17-9-7-15(8-10-17)18-11-24(16-5-3-2-4-6-16)20-19(18)22-13-23-21(20)26;1-14(25)12-27-17-9-7-15(8-10-17)18-11-24(16-5-3-2-4-6-16)20-19(18)21(26)23-13-22-20/h1-9,13-14,18,29H,10-12H2,(H,26,31)(H,24,25,30);1-10,14,27H,11-13H2,(H,23,24,26);2*2-11,13-14,25H,12H2,1H3,(H,22,23,26)
InChIKeyBVHWHDLOQSMVTN-UHFFFAOYSA-N
XLogP11.78
TPSA352.90 Ų
H-Bond Donors9
H-Bond Acceptors21
Rotatable Bonds18
Heavy Atoms114
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001527.67
LogP ≤ 511.78
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1021

Analyze 5-[4-[(3-hydroxyoxetan-3-yl)methoxy]phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;3-hydroxy-N-[4-(4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]pyrrolidine-1-carboxamide;5-[4-(2-hydroxypropoxy)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;7-[4-(2-hydroxypropoxy)phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(3-hydroxyoxetan-3-yl)methoxy]phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;3-hydroxy-N-[4-(4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]pyrrolidine-1-carboxamide;5-[4-(2-hydroxypropoxy)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;7-[4-(2-hydroxypropoxy)phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 5-[4-[(3-hydroxyoxetan-3-yl)methoxy]phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;3-hydroxy-N-[4-(4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]pyrrolidine-1-carboxamide;5-[4-(2-hydroxypropoxy)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;7-[4-(2-hydroxypropoxy)phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one (CID 157473527) is 5-[4-[(3-hydroxyoxetan-3-yl)methoxy]phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;3-hydroxy-N-[4-(4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]pyrrolidine-1-carboxamide;5-[4-(2-hydroxypropoxy)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;7-[4-(2-hydroxypropoxy)phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 5-[4-[(3-hydroxyoxetan-3-yl)methoxy]phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;3-hydroxy-N-[4-(4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]pyrrolidine-1-carboxamide;5-[4-(2-hydroxypropoxy)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;7-[4-(2-hydroxypropoxy)phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 5-[4-[(3-hydroxyoxetan-3-yl)methoxy]phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;3-hydroxy-N-[4-(4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]pyrrolidine-1-carboxamide;5-[4-(2-hydroxypropoxy)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;7-[4-(2-hydroxypropoxy)phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one is CC(O)COc1ccc(-c2cn(-c3ccccc3)c3c(=O)[nH]cnc23)cc1.CC(O)COc1ccc(-c2cn(-c3ccccc3)c3nc[nH]c(=O)c23)cc1.O=C(Nc1ccc(-c2cn(-c3ccccc3)c3nc[nH]c(=O)c23)cc1)N1CCC(O)C1.O=c1[nH]cnc2c1c(-c1ccc(OCC3(O)COC3)cc1)cn2-c1ccccc1.
What is the InChIKey of 5-[4-[(3-hydroxyoxetan-3-yl)methoxy]phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;3-hydroxy-N-[4-(4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]pyrrolidine-1-carboxamide;5-[4-(2-hydroxypropoxy)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;7-[4-(2-hydroxypropoxy)phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is BVHWHDLOQSMVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3.C22H19N3O4.2C21H19N3O3/c29-18-10-11-27(12-18)23(31)26-16-8-6-15(7-9-16)19-13-28(17-4-2-1-3-5-17)21-20(19)22(30)25-14-24-21;26-21-19-18(10-25(20(19)23-14-24-21)16-4-2-1-3-5-16)15-6-8-17(9-7-15)29-13-22(27)11-28-12-22;1-14(25)12-27-17-9-7-15(8-10-17)18-11-24(16-5-3-2-4-6-16)20-19(18)22-13-23-21(20)26;1-14(25)12-27-17-9-7-15(8-10-17)18-11-24(16-5-3-2-4-6-16)20-19(18)21(26)23-13-22-20/h1-9,13-14,18,29H,10-12H2,(H,26,31)(H,24,25,30);1-10,14,27H,11-13H2,(H,23,24,26);2*2-11,13-14,25H,12H2,1H3,(H,22,23,26).
What are the key properties of 5-[4-[(3-hydroxyoxetan-3-yl)methoxy]phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;3-hydroxy-N-[4-(4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]pyrrolidine-1-carboxamide;5-[4-(2-hydroxypropoxy)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;7-[4-(2-hydroxypropoxy)phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one?
5-[4-[(3-hydroxyoxetan-3-yl)methoxy]phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;3-hydroxy-N-[4-(4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]pyrrolidine-1-carboxamide;5-[4-(2-hydroxypropoxy)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;7-[4-(2-hydroxypropoxy)phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 1527.67 g/mol, XLogP of 11.78, 18 rotatable bonds, 9 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(3-hydroxyoxetan-3-yl)methoxy]phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;3-hydroxy-N-[4-(4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]pyrrolidine-1-carboxamide;5-[4-(2-hydroxypropoxy)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;7-[4-(2-hydroxypropoxy)phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 157473527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).