4-[6-(1H-indol-4-yl)-2-(2-pyridin-3-ylethyl)pyrimidin-4-yl]morpholine

C23H23N5O — CID 25097394

IUPAC4-[6-(1H-indol-4-yl)-2-(2-pyridin-3-ylethyl)pyrimidin-4-yl]morpholine
SMILESc1cncc(CCc2nc(-c3cccc4[nH]ccc34)cc(N3CCOCC3)n2)c1
InChIInChI=1S/C23H23N5O/c1-4-18(19-8-10-25-20(19)5-1)21-15-23(28-11-13-29-14-12-28)27-22(26-21)7-6-17-3-2-9-24-16-17/h1-5,8-10,15-16,25H,6-7,11-14H2
InChIKeyKPESBOSVEYBBDN-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.64
Rot. Bonds5

About 4-[6-(1H-indol-4-yl)-2-(2-pyridin-3-ylethyl)pyrimidin-4-yl]morpholine

4-[6-(1H-indol-4-yl)-2-(2-pyridin-3-ylethyl)pyrimidin-4-yl]morpholine (PubChem CID 25097394) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 4-[6-(1H-indol-4-yl)-2-(2-pyridin-3-ylethyl)pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-(1H-indol-4-yl)-2-(2-pyridin-3-ylethyl)pyrimidin-4-yl]morpholine
PubChem CID25097394
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name4-[6-(1H-indol-4-yl)-2-(2-pyridin-3-ylethyl)pyrimidin-4-yl]morpholine
SMILESc1cncc(CCc2nc(-c3cccc4[nH]ccc34)cc(N3CCOCC3)n2)c1
InChIInChI=1S/C23H23N5O/c1-4-18(19-8-10-25-20(19)5-1)21-15-23(28-11-13-29-14-12-28)27-22(26-21)7-6-17-3-2-9-24-16-17/h1-5,8-10,15-16,25H,6-7,11-14H2
InChIKeyKPESBOSVEYBBDN-UHFFFAOYSA-N
XLogP3.64
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-6-[6-(trifluoromethyl)-1H-indol-4-yl]pyrimidin-2-amine
CID 25109300
4-(1H-indol-4-yl)-6-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine
CID 58508140
4-[2-[[ethyl(pyridin-3-yl)amino]methyl]-6-morpholin-4-ylpyrimidin-4-yl]-1H-indole-6-carboxamide
CID 25098500
N-[[2-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]methyl]-N-methyl-1-pyridin-3-ylmethanamine
CID 25097952
N-methyl-N-[[2-(6-methylsulfonyl-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]methyl]-1-pyridin-3-ylmethanamine
CID 25097953
4-(2-aza-7λ4-tungstabicyclo[3.3.0]octa-1(5),3,6,7-tetraen-6-yl)-6-morpholin-4-yl-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine
CID 145493366
4-(dimethylamino)-N-[2-(1H-indol-4-yl)-6-morpholin-4-yl-4-pyridinyl]butanamide
CID 71721536
4-[2-(1H-indol-4-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine
CID 58137106
4-[2-(1H-indol-4-yl)-6-(1-methylsulfinylcyclopropyl)pyrimidin-4-yl]morpholine
CID 142469063
1-[2-(1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-phenylpiperidine-4-carbonitrile
CID 25098228
[4-[[6-(1H-indol-4-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-1-yl]methanesulfinic acid
CID 68762454
4-[6-methyl-2-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 166604816

Frequently Asked Questions

What is the IUPAC name of 4-[6-(1H-indol-4-yl)-2-(2-pyridin-3-ylethyl)pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-(1H-indol-4-yl)-2-(2-pyridin-3-ylethyl)pyrimidin-4-yl]morpholine (CID 25097394) is 4-[6-(1H-indol-4-yl)-2-(2-pyridin-3-ylethyl)pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-(1H-indol-4-yl)-2-(2-pyridin-3-ylethyl)pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-(1H-indol-4-yl)-2-(2-pyridin-3-ylethyl)pyrimidin-4-yl]morpholine is c1cncc(CCc2nc(-c3cccc4[nH]ccc34)cc(N3CCOCC3)n2)c1.
What is the InChIKey of 4-[6-(1H-indol-4-yl)-2-(2-pyridin-3-ylethyl)pyrimidin-4-yl]morpholine?
The InChIKey is KPESBOSVEYBBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-4-18(19-8-10-25-20(19)5-1)21-15-23(28-11-13-29-14-12-28)27-22(26-21)7-6-17-3-2-9-24-16-17/h1-5,8-10,15-16,25H,6-7,11-14H2.
What are the key properties of 4-[6-(1H-indol-4-yl)-2-(2-pyridin-3-ylethyl)pyrimidin-4-yl]morpholine?
4-[6-(1H-indol-4-yl)-2-(2-pyridin-3-ylethyl)pyrimidin-4-yl]morpholine has a molecular weight of 385.47 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(1H-indol-4-yl)-2-(2-pyridin-3-ylethyl)pyrimidin-4-yl]morpholine is sourced from PubChem (CID 25097394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).