3-cyclopropyl-5-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-methyl-2,3-dihydroindole

C20H23N3O — CID 134549077

IUPAC3-cyclopropyl-5-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-methyl-2,3-dihydroindole
SMILESCOc1ncnc(C2CC2)c1-c1ccc2c(c1)C(C1CC1)CN2C
InChIInChI=1S/C20H23N3O/c1-23-10-16(12-3-4-12)15-9-14(7-8-17(15)23)18-19(13-5-6-13)21-11-22-20(18)24-2/h7-9,11-13,16H,3-6,10H2,1-2H3
InChIKeyYPRQGDONZDUUSN-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.97
Rot. Bonds4

About 3-cyclopropyl-5-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-methyl-2,3-dihydroindole

3-cyclopropyl-5-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-methyl-2,3-dihydroindole (PubChem CID 134549077) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 3-cyclopropyl-5-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name3-cyclopropyl-5-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-methyl-2,3-dihydroindole
PubChem CID134549077
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name3-cyclopropyl-5-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-methyl-2,3-dihydroindole
SMILESCOc1ncnc(C2CC2)c1-c1ccc2c(c1)C(C1CC1)CN2C
InChIInChI=1S/C20H23N3O/c1-23-10-16(12-3-4-12)15-9-14(7-8-17(15)23)18-19(13-5-6-13)21-11-22-20(18)24-2/h7-9,11-13,16H,3-6,10H2,1-2H3
InChIKeyYPRQGDONZDUUSN-UHFFFAOYSA-N
XLogP3.97
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-methyl-2,3-dihydroindole?
The IUPAC name of 3-cyclopropyl-5-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-methyl-2,3-dihydroindole (CID 134549077) is 3-cyclopropyl-5-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-methyl-2,3-dihydroindole.
What is the SMILES notation for 3-cyclopropyl-5-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-methyl-2,3-dihydroindole?
The canonical SMILES for 3-cyclopropyl-5-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-methyl-2,3-dihydroindole is COc1ncnc(C2CC2)c1-c1ccc2c(c1)C(C1CC1)CN2C.
What is the InChIKey of 3-cyclopropyl-5-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-methyl-2,3-dihydroindole?
The InChIKey is YPRQGDONZDUUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-23-10-16(12-3-4-12)15-9-14(7-8-17(15)23)18-19(13-5-6-13)21-11-22-20(18)24-2/h7-9,11-13,16H,3-6,10H2,1-2H3.
What are the key properties of 3-cyclopropyl-5-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-methyl-2,3-dihydroindole?
3-cyclopropyl-5-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-methyl-2,3-dihydroindole has a molecular weight of 321.42 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-methyl-2,3-dihydroindole is sourced from PubChem (CID 134549077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).