(3R)-3-[2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]-6-methyl-1,3-dihydroindol-2-one

C19H20N4O2 — CID 95230911

IUPAC(3R)-3-[2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]-6-methyl-1,3-dihydroindol-2-one
SMILESCCc1ncc2c(n1)CN(C(=O)C[C@H]1C(=O)Nc3cc(C)ccc31)C2
InChIInChI=1S/C19H20N4O2/c1-3-17-20-8-12-9-23(10-16(12)21-17)18(24)7-14-13-5-4-11(2)6-15(13)22-19(14)25/h4-6,8,14H,3,7,9-10H2,1-2H3,(H,22,25)/t14-/m1/s1
InChIKeyXTEGHBDHWRBFSA-CQSZACIVSA-N
MW336.40 g/mol
LogP2.32
Rot. Bonds3

About (3R)-3-[2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]-6-methyl-1,3-dihydroindol-2-one

(3R)-3-[2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]-6-methyl-1,3-dihydroindol-2-one (PubChem CID 95230911) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is (3R)-3-[2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]-6-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name(3R)-3-[2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]-6-methyl-1,3-dihydroindol-2-one
PubChem CID95230911
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name(3R)-3-[2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]-6-methyl-1,3-dihydroindol-2-one
SMILESCCc1ncc2c(n1)CN(C(=O)C[C@H]1C(=O)Nc3cc(C)ccc31)C2
InChIInChI=1S/C19H20N4O2/c1-3-17-20-8-12-9-23(10-16(12)21-17)18(24)7-14-13-5-4-11(2)6-15(13)22-19(14)25/h4-6,8,14H,3,7,9-10H2,1-2H3,(H,22,25)/t14-/m1/s1
InChIKeyXTEGHBDHWRBFSA-CQSZACIVSA-N
XLogP2.32
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-3-[2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]-6-methyl-1,3-dihydroindol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]-6-methyl-1,3-dihydroindol-2-one?
The IUPAC name of (3R)-3-[2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]-6-methyl-1,3-dihydroindol-2-one (CID 95230911) is (3R)-3-[2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]-6-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for (3R)-3-[2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]-6-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for (3R)-3-[2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]-6-methyl-1,3-dihydroindol-2-one is CCc1ncc2c(n1)CN(C(=O)C[C@H]1C(=O)Nc3cc(C)ccc31)C2.
What is the InChIKey of (3R)-3-[2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]-6-methyl-1,3-dihydroindol-2-one?
The InChIKey is XTEGHBDHWRBFSA-CQSZACIVSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-3-17-20-8-12-9-23(10-16(12)21-17)18(24)7-14-13-5-4-11(2)6-15(13)22-19(14)25/h4-6,8,14H,3,7,9-10H2,1-2H3,(H,22,25)/t14-/m1/s1.
What are the key properties of (3R)-3-[2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]-6-methyl-1,3-dihydroindol-2-one?
(3R)-3-[2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]-6-methyl-1,3-dihydroindol-2-one has a molecular weight of 336.40 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]-6-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 95230911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).