1-[2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-3-(1H-indol-3-yl)propan-1-one

C24H24N6O2 — CID 127250571

IUPAC1-[2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-3-(1H-indol-3-yl)propan-1-one
SMILESNc1ncc(-c2cccc(C3CN(C(=O)CCc4c[nH]c5ccccc45)CCO3)n2)cn1
InChIInChI=1S/C24H24N6O2/c25-24-27-13-17(14-28-24)19-6-3-7-21(29-19)22-15-30(10-11-32-22)23(31)9-8-16-12-26-20-5-2-1-4-18(16)20/h1-7,12-14,22,26H,8-11,15H2,(H2,25,27,28)
InChIKeyPYLRKVVCFONJEW-UHFFFAOYSA-N
MW428.50 g/mol
LogP3.13
Rot. Bonds5

About 1-[2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-3-(1H-indol-3-yl)propan-1-one

1-[2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-3-(1H-indol-3-yl)propan-1-one (PubChem CID 127250571) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is 1-[2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-3-(1H-indol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-[2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-3-(1H-indol-3-yl)propan-1-one
PubChem CID127250571
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC Name1-[2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-3-(1H-indol-3-yl)propan-1-one
SMILESNc1ncc(-c2cccc(C3CN(C(=O)CCc4c[nH]c5ccccc45)CCO3)n2)cn1
InChIInChI=1S/C24H24N6O2/c25-24-27-13-17(14-28-24)19-6-3-7-21(29-19)22-15-30(10-11-32-22)23(31)9-8-16-12-26-20-5-2-1-4-18(16)20/h1-7,12-14,22,26H,8-11,15H2,(H2,25,27,28)
InChIKeyPYLRKVVCFONJEW-UHFFFAOYSA-N
XLogP3.13
TPSA110.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-3-(1H-indol-3-yl)propan-1-one with MolForge

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Related Compounds

1-[(2S)-2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-3-(1H-indol-3-yl)propan-1-one
CID 124993546
3-(1H-indol-3-yl)-1-[(2R)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 129457912
3-(1H-indol-3-yl)-1-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]propan-1-one
CID 124952727
3-(1H-indol-3-yl)-1-[(2R)-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 124973725
1-[(2R)-2-[6-(2-fluorophenyl)pyrazin-2-yl]morpholin-4-yl]-3-(1H-indol-3-yl)propan-1-one
CID 129457839
3-(1H-indol-3-yl)-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one
CID 155899693
3-(1H-indol-3-yl)-1-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]propan-1-one
CID 110102712
4-[3-(1H-indol-3-yl)propanoyl]morpholine-2-carbonitrile
CID 78945471
4-(1H-indol-3-yl)-1-[(2S)-2-phenylmorpholin-4-yl]butan-1-one
CID 35257736
2-(1H-indol-3-yl)-1-[(2S)-2-[6-(3-methoxyphenyl)pyrazin-2-yl]morpholin-4-yl]ethanone
CID 124956255
3-(1H-indol-3-yl)-1-[(2S)-2-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 124993957
3-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[(2R)-2-[6-(3-fluorophenyl)-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 124989667

Frequently Asked Questions

What is the IUPAC name of 1-[2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-3-(1H-indol-3-yl)propan-1-one?
The IUPAC name of 1-[2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-3-(1H-indol-3-yl)propan-1-one (CID 127250571) is 1-[2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-3-(1H-indol-3-yl)propan-1-one.
What is the SMILES notation for 1-[2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-3-(1H-indol-3-yl)propan-1-one?
The canonical SMILES for 1-[2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-3-(1H-indol-3-yl)propan-1-one is Nc1ncc(-c2cccc(C3CN(C(=O)CCc4c[nH]c5ccccc45)CCO3)n2)cn1.
What is the InChIKey of 1-[2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-3-(1H-indol-3-yl)propan-1-one?
The InChIKey is PYLRKVVCFONJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c25-24-27-13-17(14-28-24)19-6-3-7-21(29-19)22-15-30(10-11-32-22)23(31)9-8-16-12-26-20-5-2-1-4-18(16)20/h1-7,12-14,22,26H,8-11,15H2,(H2,25,27,28).
What are the key properties of 1-[2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-3-(1H-indol-3-yl)propan-1-one?
1-[2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-3-(1H-indol-3-yl)propan-1-one has a molecular weight of 428.50 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-3-(1H-indol-3-yl)propan-1-one is sourced from PubChem (CID 127250571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).