4-morpholin-4-yl-2-[6-(trifluoromethyl)-1H-indol-4-yl]-[1]benzofuro[3,2-d]pyrimidine

C23H17F3N4O2 — CID 58507695

IUPAC4-morpholin-4-yl-2-[6-(trifluoromethyl)-1H-indol-4-yl]-[1]benzofuro[3,2-d]pyrimidine
SMILESFC(F)(F)c1cc(-c2nc(N3CCOCC3)c3oc4ccccc4c3n2)c2cc[nH]c2c1
InChIInChI=1S/C23H17F3N4O2/c24-23(25,26)13-11-16(14-5-6-27-17(14)12-13)21-28-19-15-3-1-2-4-18(15)32-20(19)22(29-21)30-7-9-31-10-8-30/h1-6,11-12,27H,7-10H2
InChIKeyAQVDEEFFRFOCFH-UHFFFAOYSA-N
MW438.41 g/mol
LogP5.38
Rot. Bonds2

About 4-morpholin-4-yl-2-[6-(trifluoromethyl)-1H-indol-4-yl]-[1]benzofuro[3,2-d]pyrimidine

4-morpholin-4-yl-2-[6-(trifluoromethyl)-1H-indol-4-yl]-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 58507695) has the molecular formula C23H17F3N4O2 and a molecular weight of 438.41 g/mol. Its IUPAC name is 4-morpholin-4-yl-2-[6-(trifluoromethyl)-1H-indol-4-yl]-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-morpholin-4-yl-2-[6-(trifluoromethyl)-1H-indol-4-yl]-[1]benzofuro[3,2-d]pyrimidine
PubChem CID58507695
Molecular FormulaC23H17F3N4O2
Molecular Weight438.41 g/mol
Exact Mass438.13
IUPAC Name4-morpholin-4-yl-2-[6-(trifluoromethyl)-1H-indol-4-yl]-[1]benzofuro[3,2-d]pyrimidine
SMILESFC(F)(F)c1cc(-c2nc(N3CCOCC3)c3oc4ccccc4c3n2)c2cc[nH]c2c1
InChIInChI=1S/C23H17F3N4O2/c24-23(25,26)13-11-16(14-5-6-27-17(14)12-13)21-28-19-15-3-1-2-4-18(15)32-20(19)22(29-21)30-7-9-31-10-8-30/h1-6,11-12,27H,7-10H2
InChIKeyAQVDEEFFRFOCFH-UHFFFAOYSA-N
XLogP5.38
TPSA67.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.41
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-(3-morpholinopropyl)benzofuro[3,2-d]pyrimidin-4-amine hydrochloride
CID 6602794
2-ethyl-N-(pyridin-4-yl)benzofuro[3,2-d]pyrimidin-4-amine hydrochloride
CID 6602808
2-methyl-N-(2-morpholinoethyl)benzofuro[3,2-d]pyrimidin-4-amine hydrochloride
CID 6603370
methyl N-[3-(1H-indol-4-yl)-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamate
CID 15603280
4-(4-methyl-1H-indol-5-ylamino)-5-(5-((4-(pyridin-2-yl)piperazin-1-yl)methyl)benzofuran-2-yl)nicotinonitrile
CID 45485766
(R)-N-methyl-1-(8-(trifluoromethyl)benzofuro[3,2-d]pyrimidin-4-yl)pyrrolidin-3-amine
CID 46885178
2'(2-(benzofuran-2-yl)pyrimidin-4-yl)-5',6'-dihydrospiro[piperidine-4,7'-pyrrolo[3,2-c]pyridin]-4'(1'H)-one
CID 53246589
2-[2-(1-benzofuran-2-yl)pyrimidin-4-yl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-4-one
CID 54580897
2-[2-(1-benzofuran-2-yl)pyrimidin-4-yl]-1'-methylspiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one
CID 54582875
2-[2-(1-benzofuran-2-yl)pyrimidin-4-yl]-1'-ethylspiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one
CID 54587800
CID 57395496
CID 57395496
2-(2-propan-2-ylphenyl)-N-[(4-pyridin-3-ylphenyl)methyl]furo[3,2-d]pyrimidin-4-amine
CID 60167905

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-2-[6-(trifluoromethyl)-1H-indol-4-yl]-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 4-morpholin-4-yl-2-[6-(trifluoromethyl)-1H-indol-4-yl]-[1]benzofuro[3,2-d]pyrimidine (CID 58507695) is 4-morpholin-4-yl-2-[6-(trifluoromethyl)-1H-indol-4-yl]-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 4-morpholin-4-yl-2-[6-(trifluoromethyl)-1H-indol-4-yl]-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 4-morpholin-4-yl-2-[6-(trifluoromethyl)-1H-indol-4-yl]-[1]benzofuro[3,2-d]pyrimidine is FC(F)(F)c1cc(-c2nc(N3CCOCC3)c3oc4ccccc4c3n2)c2cc[nH]c2c1.
What is the InChIKey of 4-morpholin-4-yl-2-[6-(trifluoromethyl)-1H-indol-4-yl]-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is AQVDEEFFRFOCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N4O2/c24-23(25,26)13-11-16(14-5-6-27-17(14)12-13)21-28-19-15-3-1-2-4-18(15)32-20(19)22(29-21)30-7-9-31-10-8-30/h1-6,11-12,27H,7-10H2.
What are the key properties of 4-morpholin-4-yl-2-[6-(trifluoromethyl)-1H-indol-4-yl]-[1]benzofuro[3,2-d]pyrimidine?
4-morpholin-4-yl-2-[6-(trifluoromethyl)-1H-indol-4-yl]-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 438.41 g/mol, XLogP of 5.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-2-[6-(trifluoromethyl)-1H-indol-4-yl]-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 58507695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).