(7Z)-2-amino-4-(furan-2-yl)-6-methyl-7-[[2-(trifluoromethoxy)phenyl]methylidene]pyrrolo[3,4-d]pyrimidin-5-one

C19H13F3N4O3 — CID 146364787

IUPAC(7Z)-2-amino-4-(furan-2-yl)-6-methyl-7-[[2-(trifluoromethoxy)phenyl]methylidene]pyrrolo[3,4-d]pyrimidin-5-one
SMILESCN1C(=O)c2c(nc(N)nc2-c2ccco2)/C1=C/c1ccccc1OC(F)(F)F
InChIInChI=1S/C19H13F3N4O3/c1-26-11(9-10-5-2-3-6-12(10)29-19(20,21)22)15-14(17(26)27)16(25-18(23)24-15)13-7-4-8-28-13/h2-9H,1H3,(H2,23,24,25)/b11-9-
InChIKeyAYSXMSYFYXOJHB-LUAWRHEFSA-N
MW402.33 g/mol
LogP3.80
Rot. Bonds3

About (7Z)-2-amino-4-(furan-2-yl)-6-methyl-7-[[2-(trifluoromethoxy)phenyl]methylidene]pyrrolo[3,4-d]pyrimidin-5-one

(7Z)-2-amino-4-(furan-2-yl)-6-methyl-7-[[2-(trifluoromethoxy)phenyl]methylidene]pyrrolo[3,4-d]pyrimidin-5-one (PubChem CID 146364787) has the molecular formula C19H13F3N4O3 and a molecular weight of 402.33 g/mol. Its IUPAC name is (7Z)-2-amino-4-(furan-2-yl)-6-methyl-7-[[2-(trifluoromethoxy)phenyl]methylidene]pyrrolo[3,4-d]pyrimidin-5-one.

Molecular Properties

Compound Name(7Z)-2-amino-4-(furan-2-yl)-6-methyl-7-[[2-(trifluoromethoxy)phenyl]methylidene]pyrrolo[3,4-d]pyrimidin-5-one
PubChem CID146364787
Molecular FormulaC19H13F3N4O3
Molecular Weight402.33 g/mol
Exact Mass402.09
IUPAC Name(7Z)-2-amino-4-(furan-2-yl)-6-methyl-7-[[2-(trifluoromethoxy)phenyl]methylidene]pyrrolo[3,4-d]pyrimidin-5-one
SMILESCN1C(=O)c2c(nc(N)nc2-c2ccco2)/C1=C/c1ccccc1OC(F)(F)F
InChIInChI=1S/C19H13F3N4O3/c1-26-11(9-10-5-2-3-6-12(10)29-19(20,21)22)15-14(17(26)27)16(25-18(23)24-15)13-7-4-8-28-13/h2-9H,1H3,(H2,23,24,25)/b11-9-
InChIKeyAYSXMSYFYXOJHB-LUAWRHEFSA-N
XLogP3.80
TPSA94.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.33
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (7Z)-2-amino-4-(furan-2-yl)-6-methyl-7-[[2-(trifluoromethoxy)phenyl]methylidene]pyrrolo[3,4-d]pyrimidin-5-one 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 (7Z)-2-amino-4-(furan-2-yl)-6-methyl-7-[[2-(trifluoromethoxy)phenyl]methylidene]pyrrolo[3,4-d]pyrimidin-5-one?
The IUPAC name of (7Z)-2-amino-4-(furan-2-yl)-6-methyl-7-[[2-(trifluoromethoxy)phenyl]methylidene]pyrrolo[3,4-d]pyrimidin-5-one (CID 146364787) is (7Z)-2-amino-4-(furan-2-yl)-6-methyl-7-[[2-(trifluoromethoxy)phenyl]methylidene]pyrrolo[3,4-d]pyrimidin-5-one.
What is the SMILES notation for (7Z)-2-amino-4-(furan-2-yl)-6-methyl-7-[[2-(trifluoromethoxy)phenyl]methylidene]pyrrolo[3,4-d]pyrimidin-5-one?
The canonical SMILES for (7Z)-2-amino-4-(furan-2-yl)-6-methyl-7-[[2-(trifluoromethoxy)phenyl]methylidene]pyrrolo[3,4-d]pyrimidin-5-one is CN1C(=O)c2c(nc(N)nc2-c2ccco2)/C1=C/c1ccccc1OC(F)(F)F.
What is the InChIKey of (7Z)-2-amino-4-(furan-2-yl)-6-methyl-7-[[2-(trifluoromethoxy)phenyl]methylidene]pyrrolo[3,4-d]pyrimidin-5-one?
The InChIKey is AYSXMSYFYXOJHB-LUAWRHEFSA-N. The full InChI is InChI=1S/C19H13F3N4O3/c1-26-11(9-10-5-2-3-6-12(10)29-19(20,21)22)15-14(17(26)27)16(25-18(23)24-15)13-7-4-8-28-13/h2-9H,1H3,(H2,23,24,25)/b11-9-.
What are the key properties of (7Z)-2-amino-4-(furan-2-yl)-6-methyl-7-[[2-(trifluoromethoxy)phenyl]methylidene]pyrrolo[3,4-d]pyrimidin-5-one?
(7Z)-2-amino-4-(furan-2-yl)-6-methyl-7-[[2-(trifluoromethoxy)phenyl]methylidene]pyrrolo[3,4-d]pyrimidin-5-one has a molecular weight of 402.33 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-2-amino-4-(furan-2-yl)-6-methyl-7-[[2-(trifluoromethoxy)phenyl]methylidene]pyrrolo[3,4-d]pyrimidin-5-one is sourced from PubChem (CID 146364787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).