(2-tert-butylpyrimidin-5-yl)-[4-(pyrrolidin-1-ylmethyl)-2,3-dihydroindol-1-yl]methanone

C22H28N4O — CID 126813047

IUPAC(2-tert-butylpyrimidin-5-yl)-[4-(pyrrolidin-1-ylmethyl)-2,3-dihydroindol-1-yl]methanone
SMILESCC(C)(C)c1ncc(C(=O)N2CCc3c(CN4CCCC4)cccc32)cn1
InChIInChI=1S/C22H28N4O/c1-22(2,3)21-23-13-17(14-24-21)20(27)26-12-9-18-16(7-6-8-19(18)26)15-25-10-4-5-11-25/h6-8,13-14H,4-5,9-12,15H2,1-3H3
InChIKeyXUHVJFUHJZHRGH-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.57
Rot. Bonds3

About (2-tert-butylpyrimidin-5-yl)-[4-(pyrrolidin-1-ylmethyl)-2,3-dihydroindol-1-yl]methanone

(2-tert-butylpyrimidin-5-yl)-[4-(pyrrolidin-1-ylmethyl)-2,3-dihydroindol-1-yl]methanone (PubChem CID 126813047) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is (2-tert-butylpyrimidin-5-yl)-[4-(pyrrolidin-1-ylmethyl)-2,3-dihydroindol-1-yl]methanone.

Molecular Properties

Compound Name(2-tert-butylpyrimidin-5-yl)-[4-(pyrrolidin-1-ylmethyl)-2,3-dihydroindol-1-yl]methanone
PubChem CID126813047
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name(2-tert-butylpyrimidin-5-yl)-[4-(pyrrolidin-1-ylmethyl)-2,3-dihydroindol-1-yl]methanone
SMILESCC(C)(C)c1ncc(C(=O)N2CCc3c(CN4CCCC4)cccc32)cn1
InChIInChI=1S/C22H28N4O/c1-22(2,3)21-23-13-17(14-24-21)20(27)26-12-9-18-16(7-6-8-19(18)26)15-25-10-4-5-11-25/h6-8,13-14H,4-5,9-12,15H2,1-3H3
InChIKeyXUHVJFUHJZHRGH-UHFFFAOYSA-N
XLogP3.57
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-tert-butylpyrimidin-5-yl)-[4-(pyrrolidin-1-ylmethyl)-2,3-dihydroindol-1-yl]methanone with MolForge

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Related Compounds

1-methyl-4-(pyrrolidin-1-ylmethyl)-2,3-dihydroindole
CID 146317920
2-hydroxy-2-pyridin-3-yl-1-[4-(pyrrolidin-1-ylmethyl)-2,3-dihydroindol-1-yl]ethanone
CID 154799440
2-(1-benzoyl-2,3-dihydroindol-4-yl)acetic acid
CID 58765445
[2-(tert-butylamino)pyrimidin-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109262976
(2-tert-butylpyrimidin-5-yl)-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 126797241
2,3-dihydroindol-1-yl-[6-[(2-piperidin-1-ylphenyl)methylamino]-3-pyridinyl]methanone
CID 133439711
3,4-dihydro-2H-quinolin-1-yl-[6-(ethylamino)-3-pyridinyl]methanone
CID 62172128
3,4-dihydro-2H-quinolin-1-yl-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methanone
CID 109250910
1-[4-[5-(2,3-dihydroindole-1-carbonyl)pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 109254794
2-(1-benzoyl-2,3-dihydroindol-4-yl)-N-methylsulfonylacetamide
CID 58765450
2,3-dihydroindol-1-yl-[2-[(3-methylphenyl)methylamino]pyrimidin-5-yl]methanone
CID 109255992
(2-tert-butylpyrimidin-5-yl)-[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]methanone
CID 51593320

Frequently Asked Questions

What is the IUPAC name of (2-tert-butylpyrimidin-5-yl)-[4-(pyrrolidin-1-ylmethyl)-2,3-dihydroindol-1-yl]methanone?
The IUPAC name of (2-tert-butylpyrimidin-5-yl)-[4-(pyrrolidin-1-ylmethyl)-2,3-dihydroindol-1-yl]methanone (CID 126813047) is (2-tert-butylpyrimidin-5-yl)-[4-(pyrrolidin-1-ylmethyl)-2,3-dihydroindol-1-yl]methanone.
What is the SMILES notation for (2-tert-butylpyrimidin-5-yl)-[4-(pyrrolidin-1-ylmethyl)-2,3-dihydroindol-1-yl]methanone?
The canonical SMILES for (2-tert-butylpyrimidin-5-yl)-[4-(pyrrolidin-1-ylmethyl)-2,3-dihydroindol-1-yl]methanone is CC(C)(C)c1ncc(C(=O)N2CCc3c(CN4CCCC4)cccc32)cn1.
What is the InChIKey of (2-tert-butylpyrimidin-5-yl)-[4-(pyrrolidin-1-ylmethyl)-2,3-dihydroindol-1-yl]methanone?
The InChIKey is XUHVJFUHJZHRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-22(2,3)21-23-13-17(14-24-21)20(27)26-12-9-18-16(7-6-8-19(18)26)15-25-10-4-5-11-25/h6-8,13-14H,4-5,9-12,15H2,1-3H3.
What are the key properties of (2-tert-butylpyrimidin-5-yl)-[4-(pyrrolidin-1-ylmethyl)-2,3-dihydroindol-1-yl]methanone?
(2-tert-butylpyrimidin-5-yl)-[4-(pyrrolidin-1-ylmethyl)-2,3-dihydroindol-1-yl]methanone has a molecular weight of 364.49 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butylpyrimidin-5-yl)-[4-(pyrrolidin-1-ylmethyl)-2,3-dihydroindol-1-yl]methanone is sourced from PubChem (CID 126813047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).