(6-methoxy-1-methylindol-2-yl)-[(2S)-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone

C24H24N6O3 — CID 124939990

IUPAC(6-methoxy-1-methylindol-2-yl)-[(2S)-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone
SMILESCOc1ccc2cc(C(=O)N3CCO[C@H](c4cccc(Nc5ncccn5)n4)C3)n(C)c2c1
InChIInChI=1S/C24H24N6O3/c1-29-19-14-17(32-2)8-7-16(19)13-20(29)23(31)30-11-12-33-21(15-30)18-5-3-6-22(27-18)28-24-25-9-4-10-26-24/h3-10,13-14,21H,11-12,15H2,1-2H3,(H,25,26,27,28)/t21-/m0/s1
InChIKeyADBUBGPZGAUVGE-NRFANRHFSA-N
MW444.50 g/mol
LogP3.33
Rot. Bonds5

About (6-methoxy-1-methylindol-2-yl)-[(2S)-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone

(6-methoxy-1-methylindol-2-yl)-[(2S)-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone (PubChem CID 124939990) has the molecular formula C24H24N6O3 and a molecular weight of 444.50 g/mol. Its IUPAC name is (6-methoxy-1-methylindol-2-yl)-[(2S)-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(6-methoxy-1-methylindol-2-yl)-[(2S)-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone
PubChem CID124939990
Molecular FormulaC24H24N6O3
Molecular Weight444.50 g/mol
Exact Mass444.19
IUPAC Name(6-methoxy-1-methylindol-2-yl)-[(2S)-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone
SMILESCOc1ccc2cc(C(=O)N3CCO[C@H](c4cccc(Nc5ncccn5)n4)C3)n(C)c2c1
InChIInChI=1S/C24H24N6O3/c1-29-19-14-17(32-2)8-7-16(19)13-20(29)23(31)30-11-12-33-21(15-30)18-5-3-6-22(27-18)28-24-25-9-4-10-26-24/h3-10,13-14,21H,11-12,15H2,1-2H3,(H,25,26,27,28)/t21-/m0/s1
InChIKeyADBUBGPZGAUVGE-NRFANRHFSA-N
XLogP3.33
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (6-methoxy-1-methylindol-2-yl)-[(2S)-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone?
The IUPAC name of (6-methoxy-1-methylindol-2-yl)-[(2S)-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone (CID 124939990) is (6-methoxy-1-methylindol-2-yl)-[(2S)-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone.
What is the SMILES notation for (6-methoxy-1-methylindol-2-yl)-[(2S)-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone?
The canonical SMILES for (6-methoxy-1-methylindol-2-yl)-[(2S)-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone is COc1ccc2cc(C(=O)N3CCO[C@H](c4cccc(Nc5ncccn5)n4)C3)n(C)c2c1.
What is the InChIKey of (6-methoxy-1-methylindol-2-yl)-[(2S)-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone?
The InChIKey is ADBUBGPZGAUVGE-NRFANRHFSA-N. The full InChI is InChI=1S/C24H24N6O3/c1-29-19-14-17(32-2)8-7-16(19)13-20(29)23(31)30-11-12-33-21(15-30)18-5-3-6-22(27-18)28-24-25-9-4-10-26-24/h3-10,13-14,21H,11-12,15H2,1-2H3,(H,25,26,27,28)/t21-/m0/s1.
What are the key properties of (6-methoxy-1-methylindol-2-yl)-[(2S)-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone?
(6-methoxy-1-methylindol-2-yl)-[(2S)-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone has a molecular weight of 444.50 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-1-methylindol-2-yl)-[(2S)-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone is sourced from PubChem (CID 124939990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).