7-[4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one;7-[4-(3-morpholin-4-ylpropoxy)phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one;5-phenyl-7-[4-(pyrrolidin-3-ylmethoxy)phenyl]-3H-pyrrolo[3,2-d]pyrimidin-4-one

C73H74N12O9 — CID 157228446

IUPAC7-[4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one;7-[4-(3-morpholin-4-ylpropoxy)phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one;5-phenyl-7-[4-(pyrrolidin-3-ylmethoxy)phenyl]-3H-pyrrolo[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c(-c3ccc(OCC(O)CN4CCOCC4)cc3)cn(-c3ccccc3)c12.O=c1[nH]cnc2c(-c3ccc(OCC4CCNC4)cc3)cn(-c3ccccc3)c12.O=c1[nH]cnc2c(-c3ccc(OCCCN4CCOCC4)cc3)cn(-c3ccccc3)c12
InChIInChI=1S/C25H26N4O4.C25H26N4O3.C23H22N4O2/c30-20(14-28-10-12-32-13-11-28)16-33-21-8-6-18(7-9-21)22-15-29(19-4-2-1-3-5-19)24-23(22)26-17-27-25(24)31;30-25-24-23(26-18-27-25)22(17-29(24)20-5-2-1-3-6-20)19-7-9-21(10-8-19)32-14-4-11-28-12-15-31-16-13-28;28-23-22-21(25-15-26-23)20(13-27(22)18-4-2-1-3-5-18)17-6-8-19(9-7-17)29-14-16-10-11-24-12-16/h1-9,15,17,20,30H,10-14,16H2,(H,26,27,31);1-3,5-10,17-18H,4,11-16H2,(H,26,27,30);1-9,13,15-16,24H,10-12,14H2,(H,25,26,28)
InChIKeyATVCTOOVMMDAQS-UHFFFAOYSA-N
MW1263.47 g/mol
LogP9.30
Rot. Bonds19

About 7-[4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one;7-[4-(3-morpholin-4-ylpropoxy)phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one;5-phenyl-7-[4-(pyrrolidin-3-ylmethoxy)phenyl]-3H-pyrrolo[3,2-d]pyrimidin-4-one

7-[4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one;7-[4-(3-morpholin-4-ylpropoxy)phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one;5-phenyl-7-[4-(pyrrolidin-3-ylmethoxy)phenyl]-3H-pyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 157228446) has the molecular formula C73H74N12O9 and a molecular weight of 1263.47 g/mol. Its IUPAC name is 7-[4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one;7-[4-(3-morpholin-4-ylpropoxy)phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one;5-phenyl-7-[4-(pyrrolidin-3-ylmethoxy)phenyl]-3H-pyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one;7-[4-(3-morpholin-4-ylpropoxy)phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one;5-phenyl-7-[4-(pyrrolidin-3-ylmethoxy)phenyl]-3H-pyrrolo[3,2-d]pyrimidin-4-one
PubChem CID157228446
Molecular FormulaC73H74N12O9
Molecular Weight1263.47 g/mol
Exact Mass1262.57
IUPAC Name7-[4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one;7-[4-(3-morpholin-4-ylpropoxy)phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one;5-phenyl-7-[4-(pyrrolidin-3-ylmethoxy)phenyl]-3H-pyrrolo[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c(-c3ccc(OCC(O)CN4CCOCC4)cc3)cn(-c3ccccc3)c12.O=c1[nH]cnc2c(-c3ccc(OCC4CCNC4)cc3)cn(-c3ccccc3)c12.O=c1[nH]cnc2c(-c3ccc(OCCCN4CCOCC4)cc3)cn(-c3ccccc3)c12
InChIInChI=1S/C25H26N4O4.C25H26N4O3.C23H22N4O2/c30-20(14-28-10-12-32-13-11-28)16-33-21-8-6-18(7-9-21)22-15-29(19-4-2-1-3-5-19)24-23(22)26-17-27-25(24)31;30-25-24-23(26-18-27-25)22(17-29(24)20-5-2-1-3-6-20)19-7-9-21(10-8-19)32-14-4-11-28-12-15-31-16-13-28;28-23-22-21(25-15-26-23)20(13-27(22)18-4-2-1-3-5-18)17-6-8-19(9-7-17)29-14-16-10-11-24-12-16/h1-9,15,17,20,30H,10-14,16H2,(H,26,27,31);1-3,5-10,17-18H,4,11-16H2,(H,26,27,30);1-9,13,15-16,24H,10-12,14H2,(H,25,26,28)
InChIKeyATVCTOOVMMDAQS-UHFFFAOYSA-N
XLogP9.30
TPSA236.93 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds19
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001263.47
LogP ≤ 59.30
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7-[4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one;7-[4-(3-morpholin-4-ylpropoxy)phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one;5-phenyl-7-[4-(pyrrolidin-3-ylmethoxy)phenyl]-3H-pyrrolo[3,2-d]pyrimidin-4-one with MolForge

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Related Compounds

5-[4-[(3,3-difluoro-1-hydroxycyclobutyl)methoxy]phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;7-[4-(3-hydroxyazetidine-1-carbonyl)phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one;5-[4-[2-(1-hydroxycyclopropyl)ethoxy]phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-[4-[2-(3-hydroxyoxetan-3-yl)ethoxy]phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 159733851
5-[4-[(3,3-difluoro-1-hydroxycyclobutyl)methoxy]phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;7-[4-(3-hydroxyazetidine-1-carbonyl)phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one;5-[4-[2-(3-hydroxyoxetan-3-yl)ethoxy]phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;7-[4-[2-(3-hydroxyoxetan-3-yl)ethoxy]phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one
CID 162017255
5-phenyl-7-[4-(pyrrolidin-3-ylmethoxy)phenyl]-3H-pyrrolo[3,2-d]pyrimidin-4-one
CID 138543704
7-[4-(2,3-dihydroxypropoxy)phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one
CID 138543831
7-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one
CID 138555453
7-[4-[3-[3-[5-[3-[cyclopropyl(methyl)amino]-2-hydroxypropoxy]-2-(4-oxo-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-7-yl)phenyl]pyrrolidin-1-yl]-2-hydroxypropoxy]phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one
CID 138555602
5-[4-[2-hydroxy-3-[4-[5-[4-(2-hydroxy-3-methoxypropoxy)phenyl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]-3-(4-methyl-3-oxopiperazin-1-yl)propoxy]phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 138555606
7-[4-(2-hydroxypropoxy)phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one
CID 138555632
7-[4-[(1-methylpyrrolidin-3-yl)methoxy]phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one
CID 138555669
7-[4-[(2S)-2-hydroxypropoxy]phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one
CID 138555700
7-[4-[(2R)-2-hydroxypropoxy]phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one
CID 138555701
7-[4-(2-hydroxy-3-pyrrolidin-1-ylpropoxy)phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one
CID 138555702

Frequently Asked Questions

What is the IUPAC name of 7-[4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one;7-[4-(3-morpholin-4-ylpropoxy)phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one;5-phenyl-7-[4-(pyrrolidin-3-ylmethoxy)phenyl]-3H-pyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-[4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one;7-[4-(3-morpholin-4-ylpropoxy)phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one;5-phenyl-7-[4-(pyrrolidin-3-ylmethoxy)phenyl]-3H-pyrrolo[3,2-d]pyrimidin-4-one (CID 157228446) is 7-[4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one;7-[4-(3-morpholin-4-ylpropoxy)phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one;5-phenyl-7-[4-(pyrrolidin-3-ylmethoxy)phenyl]-3H-pyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-[4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one;7-[4-(3-morpholin-4-ylpropoxy)phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one;5-phenyl-7-[4-(pyrrolidin-3-ylmethoxy)phenyl]-3H-pyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-[4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one;7-[4-(3-morpholin-4-ylpropoxy)phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one;5-phenyl-7-[4-(pyrrolidin-3-ylmethoxy)phenyl]-3H-pyrrolo[3,2-d]pyrimidin-4-one is O=c1[nH]cnc2c(-c3ccc(OCC(O)CN4CCOCC4)cc3)cn(-c3ccccc3)c12.O=c1[nH]cnc2c(-c3ccc(OCC4CCNC4)cc3)cn(-c3ccccc3)c12.O=c1[nH]cnc2c(-c3ccc(OCCCN4CCOCC4)cc3)cn(-c3ccccc3)c12.
What is the InChIKey of 7-[4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one;7-[4-(3-morpholin-4-ylpropoxy)phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one;5-phenyl-7-[4-(pyrrolidin-3-ylmethoxy)phenyl]-3H-pyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is ATVCTOOVMMDAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4.C25H26N4O3.C23H22N4O2/c30-20(14-28-10-12-32-13-11-28)16-33-21-8-6-18(7-9-21)22-15-29(19-4-2-1-3-5-19)24-23(22)26-17-27-25(24)31;30-25-24-23(26-18-27-25)22(17-29(24)20-5-2-1-3-6-20)19-7-9-21(10-8-19)32-14-4-11-28-12-15-31-16-13-28;28-23-22-21(25-15-26-23)20(13-27(22)18-4-2-1-3-5-18)17-6-8-19(9-7-17)29-14-16-10-11-24-12-16/h1-9,15,17,20,30H,10-14,16H2,(H,26,27,31);1-3,5-10,17-18H,4,11-16H2,(H,26,27,30);1-9,13,15-16,24H,10-12,14H2,(H,25,26,28).
What are the key properties of 7-[4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one;7-[4-(3-morpholin-4-ylpropoxy)phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one;5-phenyl-7-[4-(pyrrolidin-3-ylmethoxy)phenyl]-3H-pyrrolo[3,2-d]pyrimidin-4-one?
7-[4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one;7-[4-(3-morpholin-4-ylpropoxy)phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one;5-phenyl-7-[4-(pyrrolidin-3-ylmethoxy)phenyl]-3H-pyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 1263.47 g/mol, XLogP of 9.30, 19 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one;7-[4-(3-morpholin-4-ylpropoxy)phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one;5-phenyl-7-[4-(pyrrolidin-3-ylmethoxy)phenyl]-3H-pyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 157228446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).