(4-methoxy-1-methylindol-2-yl)-[(2S)-2-[5-(pyrazin-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone

C24H24N6O3 — CID 125003326

IUPAC(4-methoxy-1-methylindol-2-yl)-[(2S)-2-[5-(pyrazin-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone
SMILESCOc1cccc2c1cc(C(=O)N1CCO[C@H](c3ccc(Nc4cnccn4)cn3)C1)n2C
InChIInChI=1S/C24H24N6O3/c1-29-19-4-3-5-21(32-2)17(19)12-20(29)24(31)30-10-11-33-22(15-30)18-7-6-16(13-27-18)28-23-14-25-8-9-26-23/h3-9,12-14,22H,10-11,15H2,1-2H3,(H,26,28)/t22-/m0/s1
InChIKeySQUDXOVGTTYTNA-QFIPXVFZSA-N
MW444.50 g/mol
LogP3.33
Rot. Bonds5

About (4-methoxy-1-methylindol-2-yl)-[(2S)-2-[5-(pyrazin-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone

(4-methoxy-1-methylindol-2-yl)-[(2S)-2-[5-(pyrazin-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone (PubChem CID 125003326) has the molecular formula C24H24N6O3 and a molecular weight of 444.50 g/mol. Its IUPAC name is (4-methoxy-1-methylindol-2-yl)-[(2S)-2-[5-(pyrazin-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-methoxy-1-methylindol-2-yl)-[(2S)-2-[5-(pyrazin-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone
PubChem CID125003326
Molecular FormulaC24H24N6O3
Molecular Weight444.50 g/mol
Exact Mass444.19
IUPAC Name(4-methoxy-1-methylindol-2-yl)-[(2S)-2-[5-(pyrazin-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone
SMILESCOc1cccc2c1cc(C(=O)N1CCO[C@H](c3ccc(Nc4cnccn4)cn3)C1)n2C
InChIInChI=1S/C24H24N6O3/c1-29-19-4-3-5-21(32-2)17(19)12-20(29)24(31)30-10-11-33-22(15-30)18-7-6-16(13-27-18)28-23-14-25-8-9-26-23/h3-9,12-14,22H,10-11,15H2,1-2H3,(H,26,28)/t22-/m0/s1
InChIKeySQUDXOVGTTYTNA-QFIPXVFZSA-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

Analyze (4-methoxy-1-methylindol-2-yl)-[(2S)-2-[5-(pyrazin-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone with MolForge

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Related Compounds

(2-methoxyphenyl)-(2-pyrazin-2-ylmorpholin-4-yl)methanone
CID 127246249
(6-methoxy-1-methylindol-2-yl)-[(2S)-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone
CID 124939990
[2-[5-[(5-fluoro-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]-pyrazin-2-ylmethanone
CID 127249072
[2-[5-(methylamino)-2-pyridinyl]morpholin-4-yl]-pyrazin-2-ylmethanone
CID 110271985
(5-fluoro-3-methyl-1-benzofuran-2-yl)-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone
CID 124967067
(1-methylindol-3-yl)-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone
CID 124998929
3-(4-methoxyphenyl)-1-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 124961728
1-[4-[(2R)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]morpholine-4-carbonyl]piperidin-1-yl]ethanone
CID 124976016
(4-methoxy-1-methylindol-2-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone
CID 110236417
2-methyl-2-(3-methylphenoxy)-1-[2-[6-(pyrazin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 110093026
(4-methoxyphenyl)-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]methanone
CID 124969089
3-(4-methoxy-N-methylanilino)-1-[(2S)-2-[6-(pyrazin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 124960916

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-1-methylindol-2-yl)-[(2S)-2-[5-(pyrazin-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone?
The IUPAC name of (4-methoxy-1-methylindol-2-yl)-[(2S)-2-[5-(pyrazin-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone (CID 125003326) is (4-methoxy-1-methylindol-2-yl)-[(2S)-2-[5-(pyrazin-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone.
What is the SMILES notation for (4-methoxy-1-methylindol-2-yl)-[(2S)-2-[5-(pyrazin-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone?
The canonical SMILES for (4-methoxy-1-methylindol-2-yl)-[(2S)-2-[5-(pyrazin-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone is COc1cccc2c1cc(C(=O)N1CCO[C@H](c3ccc(Nc4cnccn4)cn3)C1)n2C.
What is the InChIKey of (4-methoxy-1-methylindol-2-yl)-[(2S)-2-[5-(pyrazin-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone?
The InChIKey is SQUDXOVGTTYTNA-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H24N6O3/c1-29-19-4-3-5-21(32-2)17(19)12-20(29)24(31)30-10-11-33-22(15-30)18-7-6-16(13-27-18)28-23-14-25-8-9-26-23/h3-9,12-14,22H,10-11,15H2,1-2H3,(H,26,28)/t22-/m0/s1.
What are the key properties of (4-methoxy-1-methylindol-2-yl)-[(2S)-2-[5-(pyrazin-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone?
(4-methoxy-1-methylindol-2-yl)-[(2S)-2-[5-(pyrazin-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 (4-methoxy-1-methylindol-2-yl)-[(2S)-2-[5-(pyrazin-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone is sourced from PubChem (CID 125003326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).