6-(4-acetylpiperazin-1-yl)-N-(3-methyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide

C24H29N7O3 — CID 59258572

IUPAC6-(4-acetylpiperazin-1-yl)-N-(3-methyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCC(=O)N1CCN(c2cc(C(=O)Nc3ccc4[nH]cc(C)c4c3)nc(N3CCOCC3)n2)CC1
InChIInChI=1S/C24H29N7O3/c1-16-15-25-20-4-3-18(13-19(16)20)26-23(33)21-14-22(30-7-5-29(6-8-30)17(2)32)28-24(27-21)31-9-11-34-12-10-31/h3-4,13-15,25H,5-12H2,1-2H3,(H,26,33)
InChIKeyGGRAGKOFOOTGHP-UHFFFAOYSA-N
MW463.54 g/mol
LogP2.02
Rot. Bonds4

About 6-(4-acetylpiperazin-1-yl)-N-(3-methyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide

6-(4-acetylpiperazin-1-yl)-N-(3-methyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide (PubChem CID 59258572) has the molecular formula C24H29N7O3 and a molecular weight of 463.54 g/mol. Its IUPAC name is 6-(4-acetylpiperazin-1-yl)-N-(3-methyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-acetylpiperazin-1-yl)-N-(3-methyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide
PubChem CID59258572
Molecular FormulaC24H29N7O3
Molecular Weight463.54 g/mol
Exact Mass463.23
IUPAC Name6-(4-acetylpiperazin-1-yl)-N-(3-methyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCC(=O)N1CCN(c2cc(C(=O)Nc3ccc4[nH]cc(C)c4c3)nc(N3CCOCC3)n2)CC1
InChIInChI=1S/C24H29N7O3/c1-16-15-25-20-4-3-18(13-19(16)20)26-23(33)21-14-22(30-7-5-29(6-8-30)17(2)32)28-24(27-21)31-9-11-34-12-10-31/h3-4,13-15,25H,5-12H2,1-2H3,(H,26,33)
InChIKeyGGRAGKOFOOTGHP-UHFFFAOYSA-N
XLogP2.02
TPSA106.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-acetylpiperazin-1-yl)-N-(3-methyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide?
The IUPAC name of 6-(4-acetylpiperazin-1-yl)-N-(3-methyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide (CID 59258572) is 6-(4-acetylpiperazin-1-yl)-N-(3-methyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-acetylpiperazin-1-yl)-N-(3-methyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-acetylpiperazin-1-yl)-N-(3-methyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide is CC(=O)N1CCN(c2cc(C(=O)Nc3ccc4[nH]cc(C)c4c3)nc(N3CCOCC3)n2)CC1.
What is the InChIKey of 6-(4-acetylpiperazin-1-yl)-N-(3-methyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide?
The InChIKey is GGRAGKOFOOTGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O3/c1-16-15-25-20-4-3-18(13-19(16)20)26-23(33)21-14-22(30-7-5-29(6-8-30)17(2)32)28-24(27-21)31-9-11-34-12-10-31/h3-4,13-15,25H,5-12H2,1-2H3,(H,26,33).
What are the key properties of 6-(4-acetylpiperazin-1-yl)-N-(3-methyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide?
6-(4-acetylpiperazin-1-yl)-N-(3-methyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide has a molecular weight of 463.54 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetylpiperazin-1-yl)-N-(3-methyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 59258572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).