morpholin-4-yl-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone

C22H20N6O2 — CID 71233717

IUPACmorpholin-4-yl-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone
SMILESO=C(c1cc2cc(Nc3nccc(-c4ccccn4)n3)ccc2[nH]1)N1CCOCC1
InChIInChI=1S/C22H20N6O2/c29-21(28-9-11-30-12-10-28)20-14-15-13-16(4-5-17(15)26-20)25-22-24-8-6-19(27-22)18-3-1-2-7-23-18/h1-8,13-14,26H,9-12H2,(H,24,25,27)
InChIKeyUINQKVXXTOICDA-UHFFFAOYSA-N
MW400.44 g/mol
LogP3.24
Rot. Bonds4

About morpholin-4-yl-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone

morpholin-4-yl-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone (PubChem CID 71233717) has the molecular formula C22H20N6O2 and a molecular weight of 400.44 g/mol. Its IUPAC name is morpholin-4-yl-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone
PubChem CID71233717
Molecular FormulaC22H20N6O2
Molecular Weight400.44 g/mol
Exact Mass400.16
IUPAC Namemorpholin-4-yl-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone
SMILESO=C(c1cc2cc(Nc3nccc(-c4ccccn4)n3)ccc2[nH]1)N1CCOCC1
InChIInChI=1S/C22H20N6O2/c29-21(28-9-11-30-12-10-28)20-14-15-13-16(4-5-17(15)26-20)25-22-24-8-6-19(27-22)18-3-1-2-7-23-18/h1-8,13-14,26H,9-12H2,(H,24,25,27)
InChIKeyUINQKVXXTOICDA-UHFFFAOYSA-N
XLogP3.24
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone?
The IUPAC name of morpholin-4-yl-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone (CID 71233717) is morpholin-4-yl-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone?
The canonical SMILES for morpholin-4-yl-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone is O=C(c1cc2cc(Nc3nccc(-c4ccccn4)n3)ccc2[nH]1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone?
The InChIKey is UINQKVXXTOICDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O2/c29-21(28-9-11-30-12-10-28)20-14-15-13-16(4-5-17(15)26-20)25-22-24-8-6-19(27-22)18-3-1-2-7-23-18/h1-8,13-14,26H,9-12H2,(H,24,25,27).
What are the key properties of morpholin-4-yl-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone?
morpholin-4-yl-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone has a molecular weight of 400.44 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone is sourced from PubChem (CID 71233717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).