1-(1H-indol-5-yl)-2-[2-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]ethanone

C25H25N5O3 — CID 58060244

IUPAC1-(1H-indol-5-yl)-2-[2-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]ethanone
SMILESO=C(Cc1cc(OCCc2ccccn2)nc(N2CCOCC2)n1)c1ccc2[nH]ccc2c1
InChIInChI=1S/C25H25N5O3/c31-23(19-4-5-22-18(15-19)6-9-27-22)16-21-17-24(33-12-7-20-3-1-2-8-26-20)29-25(28-21)30-10-13-32-14-11-30/h1-6,8-9,15,17,27H,7,10-14,16H2
InChIKeyLUIWVUVSHQWGRY-UHFFFAOYSA-N
MW443.51 g/mol
LogP3.24
Rot. Bonds8

About 1-(1H-indol-5-yl)-2-[2-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]ethanone

1-(1H-indol-5-yl)-2-[2-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]ethanone (PubChem CID 58060244) has the molecular formula C25H25N5O3 and a molecular weight of 443.51 g/mol. Its IUPAC name is 1-(1H-indol-5-yl)-2-[2-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]ethanone.

Molecular Properties

Compound Name1-(1H-indol-5-yl)-2-[2-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]ethanone
PubChem CID58060244
Molecular FormulaC25H25N5O3
Molecular Weight443.51 g/mol
Exact Mass443.20
IUPAC Name1-(1H-indol-5-yl)-2-[2-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]ethanone
SMILESO=C(Cc1cc(OCCc2ccccn2)nc(N2CCOCC2)n1)c1ccc2[nH]ccc2c1
InChIInChI=1S/C25H25N5O3/c31-23(19-4-5-22-18(15-19)6-9-27-22)16-21-17-24(33-12-7-20-3-1-2-8-26-20)29-25(28-21)30-10-13-32-14-11-30/h1-6,8-9,15,17,27H,7,10-14,16H2
InChIKeyLUIWVUVSHQWGRY-UHFFFAOYSA-N
XLogP3.24
TPSA93.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(1H-indol-5-yl)-2-[2-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]ethanone with MolForge

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Related Compounds

N-[2-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]-2,3-dihydro-1H-indole-5-carboxamide
CID 58725424
1-(1H-indol-6-yl)-2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone
CID 58206964
N-(4-methyl-2-pyridinyl)-2-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidine-4-carboxamide
CID 11697447
methanol;N-methyl-4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-amine
CID 143450374
1-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-[4-(2-pyridin-2-ylacetyl)phenyl]urea
CID 44516955
N-(pyridin-2-ylmethyl)-1H-indole-5-carboxamide
CID 63716738
N-(2-pyridin-2-ylethyl)-1H-indole-6-carboxamide
CID 22139228
4-methyl-2-[2-[[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide
CID 118162383
(E,E)-1-(1H-indol-6-yl)-3-morpholin-4-yl-N-[1-(pyridin-2-ylmethoxy)ethyl]but-2-en-1-imine
CID 143437694
2-(1H-indol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 84577578
2-(1H-indol-6-yl)-N-(2-pyridin-2-ylethyl)acetamide
CID 112530271
2-pyridin-2-yl-1-(4-pyrrolidin-1-ylphenyl)ethanone
CID 10611815

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-5-yl)-2-[2-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]ethanone?
The IUPAC name of 1-(1H-indol-5-yl)-2-[2-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]ethanone (CID 58060244) is 1-(1H-indol-5-yl)-2-[2-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]ethanone.
What is the SMILES notation for 1-(1H-indol-5-yl)-2-[2-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]ethanone?
The canonical SMILES for 1-(1H-indol-5-yl)-2-[2-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]ethanone is O=C(Cc1cc(OCCc2ccccn2)nc(N2CCOCC2)n1)c1ccc2[nH]ccc2c1.
What is the InChIKey of 1-(1H-indol-5-yl)-2-[2-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]ethanone?
The InChIKey is LUIWVUVSHQWGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3/c31-23(19-4-5-22-18(15-19)6-9-27-22)16-21-17-24(33-12-7-20-3-1-2-8-26-20)29-25(28-21)30-10-13-32-14-11-30/h1-6,8-9,15,17,27H,7,10-14,16H2.
What are the key properties of 1-(1H-indol-5-yl)-2-[2-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]ethanone?
1-(1H-indol-5-yl)-2-[2-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]ethanone has a molecular weight of 443.51 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-5-yl)-2-[2-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]ethanone is sourced from PubChem (CID 58060244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).