(2-methoxynaphthalen-1-yl)-[2-(4-methoxypyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone

C23H24N4O3 — CID 52917320

IUPAC(2-methoxynaphthalen-1-yl)-[2-(4-methoxypyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
SMILESCOc1ccnc(N2CC3CN(C(=O)c4c(OC)ccc5ccccc45)CC3C2)n1
InChIInChI=1S/C23H24N4O3/c1-29-19-8-7-15-5-3-4-6-18(15)21(19)22(28)26-11-16-13-27(14-17(16)12-26)23-24-10-9-20(25-23)30-2/h3-10,16-17H,11-14H2,1-2H3
InChIKeyPWRHYDCPWHULKG-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.86
Rot. Bonds4

About (2-methoxynaphthalen-1-yl)-[2-(4-methoxypyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone

(2-methoxynaphthalen-1-yl)-[2-(4-methoxypyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone (PubChem CID 52917320) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is (2-methoxynaphthalen-1-yl)-[2-(4-methoxypyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone.

Molecular Properties

Compound Name(2-methoxynaphthalen-1-yl)-[2-(4-methoxypyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
PubChem CID52917320
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name(2-methoxynaphthalen-1-yl)-[2-(4-methoxypyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
SMILESCOc1ccnc(N2CC3CN(C(=O)c4c(OC)ccc5ccccc45)CC3C2)n1
InChIInChI=1S/C23H24N4O3/c1-29-19-8-7-15-5-3-4-6-18(15)21(19)22(28)26-11-16-13-27(14-17(16)12-26)23-24-10-9-20(25-23)30-2/h3-10,16-17H,11-14H2,1-2H3
InChIKeyPWRHYDCPWHULKG-UHFFFAOYSA-N
XLogP2.86
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2-methoxynaphthalen-1-yl)-[2-(4-methoxypyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2-methoxynaphthalen-1-yl)-[2-(4-methoxypyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone?
The IUPAC name of (2-methoxynaphthalen-1-yl)-[2-(4-methoxypyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone (CID 52917320) is (2-methoxynaphthalen-1-yl)-[2-(4-methoxypyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone.
What is the SMILES notation for (2-methoxynaphthalen-1-yl)-[2-(4-methoxypyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone?
The canonical SMILES for (2-methoxynaphthalen-1-yl)-[2-(4-methoxypyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone is COc1ccnc(N2CC3CN(C(=O)c4c(OC)ccc5ccccc45)CC3C2)n1.
What is the InChIKey of (2-methoxynaphthalen-1-yl)-[2-(4-methoxypyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone?
The InChIKey is PWRHYDCPWHULKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-29-19-8-7-15-5-3-4-6-18(15)21(19)22(28)26-11-16-13-27(14-17(16)12-26)23-24-10-9-20(25-23)30-2/h3-10,16-17H,11-14H2,1-2H3.
What are the key properties of (2-methoxynaphthalen-1-yl)-[2-(4-methoxypyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone?
(2-methoxynaphthalen-1-yl)-[2-(4-methoxypyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone has a molecular weight of 404.47 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxynaphthalen-1-yl)-[2-(4-methoxypyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone is sourced from PubChem (CID 52917320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).