N-[4-(6-benzyl-4-morpholin-4-yl-7-oxo-5H-pyrrolo[3,4-d]pyrimidin-2-yl)phenyl]acetamide;4-[2-(4-pyrazol-1-ylphenyl)-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine

C49H49N13O4 — CID 67276507

IUPACN-[4-(6-benzyl-4-morpholin-4-yl-7-oxo-5H-pyrrolo[3,4-d]pyrimidin-2-yl)phenyl]acetamide;4-[2-(4-pyrazol-1-ylphenyl)-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine
SMILESCC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CN(Cc2ccccc2)C3=O)cc1.c1cnc(N2CCc3c(nc(-c4ccc(-n5cccn5)cc4)nc3N3CCOCC3)C2)nc1
InChIInChI=1S/C25H25N5O3.C24H24N8O/c1-17(31)26-20-9-7-19(8-10-20)23-27-22-21(24(28-23)29-11-13-33-14-12-29)16-30(25(22)32)15-18-5-3-2-4-6-18;1-8-25-24(26-9-1)31-12-7-20-21(17-31)28-22(29-23(20)30-13-15-33-16-14-30)18-3-5-19(6-4-18)32-11-2-10-27-32/h2-10H,11-16H2,1H3,(H,26,31);1-6,8-11H,7,12-17H2
InChIKeyUXPWXRHLZYRXCA-UHFFFAOYSA-N
MW884.02 g/mol
LogP5.61
Rot. Bonds9

About N-[4-(6-benzyl-4-morpholin-4-yl-7-oxo-5H-pyrrolo[3,4-d]pyrimidin-2-yl)phenyl]acetamide;4-[2-(4-pyrazol-1-ylphenyl)-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine

N-[4-(6-benzyl-4-morpholin-4-yl-7-oxo-5H-pyrrolo[3,4-d]pyrimidin-2-yl)phenyl]acetamide;4-[2-(4-pyrazol-1-ylphenyl)-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine (PubChem CID 67276507) has the molecular formula C49H49N13O4 and a molecular weight of 884.02 g/mol. Its IUPAC name is N-[4-(6-benzyl-4-morpholin-4-yl-7-oxo-5H-pyrrolo[3,4-d]pyrimidin-2-yl)phenyl]acetamide;4-[2-(4-pyrazol-1-ylphenyl)-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound NameN-[4-(6-benzyl-4-morpholin-4-yl-7-oxo-5H-pyrrolo[3,4-d]pyrimidin-2-yl)phenyl]acetamide;4-[2-(4-pyrazol-1-ylphenyl)-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine
PubChem CID67276507
Molecular FormulaC49H49N13O4
Molecular Weight884.02 g/mol
Exact Mass883.40
IUPAC NameN-[4-(6-benzyl-4-morpholin-4-yl-7-oxo-5H-pyrrolo[3,4-d]pyrimidin-2-yl)phenyl]acetamide;4-[2-(4-pyrazol-1-ylphenyl)-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine
SMILESCC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CN(Cc2ccccc2)C3=O)cc1.c1cnc(N2CCc3c(nc(-c4ccc(-n5cccn5)cc4)nc3N3CCOCC3)C2)nc1
InChIInChI=1S/C25H25N5O3.C24H24N8O/c1-17(31)26-20-9-7-19(8-10-20)23-27-22-21(24(28-23)29-11-13-33-14-12-29)16-30(25(22)32)15-18-5-3-2-4-6-18;1-8-25-24(26-9-1)31-12-7-20-21(17-31)28-22(29-23(20)30-13-15-33-16-14-30)18-3-5-19(6-4-18)32-11-2-10-27-32/h2-10H,11-16H2,1H3,(H,26,31);1-6,8-11H,7,12-17H2
InChIKeyUXPWXRHLZYRXCA-UHFFFAOYSA-N
XLogP5.61
TPSA172.75 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500884.02
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Analyze N-[4-(6-benzyl-4-morpholin-4-yl-7-oxo-5H-pyrrolo[3,4-d]pyrimidin-2-yl)phenyl]acetamide;4-[2-(4-pyrazol-1-ylphenyl)-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-(6-benzyl-4-morpholin-4-yl-7-oxo-5H-pyrrolo[3,4-d]pyrimidin-2-yl)phenyl]acetamide;4-[2-(4-pyrazol-1-ylphenyl)-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine?
The IUPAC name of N-[4-(6-benzyl-4-morpholin-4-yl-7-oxo-5H-pyrrolo[3,4-d]pyrimidin-2-yl)phenyl]acetamide;4-[2-(4-pyrazol-1-ylphenyl)-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine (CID 67276507) is N-[4-(6-benzyl-4-morpholin-4-yl-7-oxo-5H-pyrrolo[3,4-d]pyrimidin-2-yl)phenyl]acetamide;4-[2-(4-pyrazol-1-ylphenyl)-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for N-[4-(6-benzyl-4-morpholin-4-yl-7-oxo-5H-pyrrolo[3,4-d]pyrimidin-2-yl)phenyl]acetamide;4-[2-(4-pyrazol-1-ylphenyl)-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for N-[4-(6-benzyl-4-morpholin-4-yl-7-oxo-5H-pyrrolo[3,4-d]pyrimidin-2-yl)phenyl]acetamide;4-[2-(4-pyrazol-1-ylphenyl)-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine is CC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CN(Cc2ccccc2)C3=O)cc1.c1cnc(N2CCc3c(nc(-c4ccc(-n5cccn5)cc4)nc3N3CCOCC3)C2)nc1.
What is the InChIKey of N-[4-(6-benzyl-4-morpholin-4-yl-7-oxo-5H-pyrrolo[3,4-d]pyrimidin-2-yl)phenyl]acetamide;4-[2-(4-pyrazol-1-ylphenyl)-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine?
The InChIKey is UXPWXRHLZYRXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3.C24H24N8O/c1-17(31)26-20-9-7-19(8-10-20)23-27-22-21(24(28-23)29-11-13-33-14-12-29)16-30(25(22)32)15-18-5-3-2-4-6-18;1-8-25-24(26-9-1)31-12-7-20-21(17-31)28-22(29-23(20)30-13-15-33-16-14-30)18-3-5-19(6-4-18)32-11-2-10-27-32/h2-10H,11-16H2,1H3,(H,26,31);1-6,8-11H,7,12-17H2.
What are the key properties of N-[4-(6-benzyl-4-morpholin-4-yl-7-oxo-5H-pyrrolo[3,4-d]pyrimidin-2-yl)phenyl]acetamide;4-[2-(4-pyrazol-1-ylphenyl)-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine?
N-[4-(6-benzyl-4-morpholin-4-yl-7-oxo-5H-pyrrolo[3,4-d]pyrimidin-2-yl)phenyl]acetamide;4-[2-(4-pyrazol-1-ylphenyl)-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine has a molecular weight of 884.02 g/mol, XLogP of 5.61, 9 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-benzyl-4-morpholin-4-yl-7-oxo-5H-pyrrolo[3,4-d]pyrimidin-2-yl)phenyl]acetamide;4-[2-(4-pyrazol-1-ylphenyl)-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 67276507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).