5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]methanone

C18H20N4O2 — CID 124850749

IUPAC5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]methanone
SMILESCO[C@H]1CCN(c2ccc(C(=O)N3Cc4cncnc4C3)cc2)C1
InChIInChI=1S/C18H20N4O2/c1-24-16-6-7-21(10-16)15-4-2-13(3-5-15)18(23)22-9-14-8-19-12-20-17(14)11-22/h2-5,8,12,16H,6-7,9-11H2,1H3/t16-/m0/s1
InChIKeyQZPIQIMOOMXOMV-INIZCTEOSA-N
MW324.38 g/mol
LogP1.86
Rot. Bonds3

About 5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]methanone

5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]methanone (PubChem CID 124850749) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]methanone.

Molecular Properties

Compound Name5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]methanone
PubChem CID124850749
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]methanone
SMILESCO[C@H]1CCN(c2ccc(C(=O)N3Cc4cncnc4C3)cc2)C1
InChIInChI=1S/C18H20N4O2/c1-24-16-6-7-21(10-16)15-4-2-13(3-5-15)18(23)22-9-14-8-19-12-20-17(14)11-22/h2-5,8,12,16H,6-7,9-11H2,1H3/t16-/m0/s1
InChIKeyQZPIQIMOOMXOMV-INIZCTEOSA-N
XLogP1.86
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]methanone with MolForge

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

Launch Full Analysis

Related Compounds

methyl 4-(5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)benzoate
CID 71805783
(4-butoxyphenyl)-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone
CID 71805809
5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(4-propylphenyl)methanone
CID 90585350
[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 99874418
[4-(benzenesulfonyl)piperidin-1-yl]-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]methanone
CID 124761344
5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(4-thiophen-2-ylphenyl)methanone
CID 90587201
(4-bromophenyl)-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 90621009
7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(4-fluorophenyl)methanone
CID 90620866
N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]quinoxaline-6-carboxamide
CID 97427664
4-(3-methoxypyrrolidin-1-yl)-N-(pyridin-4-ylmethyl)benzamide
CID 91813626
[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-[3-[4-(phenoxymethyl)triazol-1-yl]azetidin-1-yl]methanone
CID 124760672
N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]cyclopropanecarboxamide
CID 97427532

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]methanone?
The IUPAC name of 5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]methanone (CID 124850749) is 5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]methanone.
What is the SMILES notation for 5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]methanone?
The canonical SMILES for 5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]methanone is CO[C@H]1CCN(c2ccc(C(=O)N3Cc4cncnc4C3)cc2)C1.
What is the InChIKey of 5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]methanone?
The InChIKey is QZPIQIMOOMXOMV-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-24-16-6-7-21(10-16)15-4-2-13(3-5-15)18(23)22-9-14-8-19-12-20-17(14)11-22/h2-5,8,12,16H,6-7,9-11H2,1H3/t16-/m0/s1.
What are the key properties of 5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]methanone?
5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]methanone has a molecular weight of 324.38 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]methanone is sourced from PubChem (CID 124850749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).