4-[4-[5-(1H-indol-5-yl)furan-2-yl]-6-morpholin-4-ylpyrimidin-2-yl]morpholine

C24H25N5O3 — CID 45487737

IUPAC4-[4-[5-(1H-indol-5-yl)furan-2-yl]-6-morpholin-4-ylpyrimidin-2-yl]morpholine
SMILESc1cc2cc(-c3ccc(-c4cc(N5CCOCC5)nc(N5CCOCC5)n4)o3)ccc2[nH]1
InChIInChI=1S/C24H25N5O3/c1-2-19-17(5-6-25-19)15-18(1)21-3-4-22(32-21)20-16-23(28-7-11-30-12-8-28)27-24(26-20)29-9-13-31-14-10-29/h1-6,15-16,25H,7-14H2
InChIKeyGMJMQUKKDXKWQU-UHFFFAOYSA-N
MW431.50 g/mol
LogP3.56
Rot. Bonds4

About 4-[4-[5-(1H-indol-5-yl)furan-2-yl]-6-morpholin-4-ylpyrimidin-2-yl]morpholine

4-[4-[5-(1H-indol-5-yl)furan-2-yl]-6-morpholin-4-ylpyrimidin-2-yl]morpholine (PubChem CID 45487737) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 4-[4-[5-(1H-indol-5-yl)furan-2-yl]-6-morpholin-4-ylpyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-[5-(1H-indol-5-yl)furan-2-yl]-6-morpholin-4-ylpyrimidin-2-yl]morpholine
PubChem CID45487737
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name4-[4-[5-(1H-indol-5-yl)furan-2-yl]-6-morpholin-4-ylpyrimidin-2-yl]morpholine
SMILESc1cc2cc(-c3ccc(-c4cc(N5CCOCC5)nc(N5CCOCC5)n4)o3)ccc2[nH]1
InChIInChI=1S/C24H25N5O3/c1-2-19-17(5-6-25-19)15-18(1)21-3-4-22(32-21)20-16-23(28-7-11-30-12-8-28)27-24(26-20)29-9-13-31-14-10-29/h1-6,15-16,25H,7-14H2
InChIKeyGMJMQUKKDXKWQU-UHFFFAOYSA-N
XLogP3.56
TPSA79.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-(1H-indol-5-yl)furan-2-yl]-6-morpholin-4-ylpyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-[5-(1H-indol-5-yl)furan-2-yl]-6-morpholin-4-ylpyrimidin-2-yl]morpholine (CID 45487737) is 4-[4-[5-(1H-indol-5-yl)furan-2-yl]-6-morpholin-4-ylpyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-[5-(1H-indol-5-yl)furan-2-yl]-6-morpholin-4-ylpyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-[5-(1H-indol-5-yl)furan-2-yl]-6-morpholin-4-ylpyrimidin-2-yl]morpholine is c1cc2cc(-c3ccc(-c4cc(N5CCOCC5)nc(N5CCOCC5)n4)o3)ccc2[nH]1.
What is the InChIKey of 4-[4-[5-(1H-indol-5-yl)furan-2-yl]-6-morpholin-4-ylpyrimidin-2-yl]morpholine?
The InChIKey is GMJMQUKKDXKWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-2-19-17(5-6-25-19)15-18(1)21-3-4-22(32-21)20-16-23(28-7-11-30-12-8-28)27-24(26-20)29-9-13-31-14-10-29/h1-6,15-16,25H,7-14H2.
What are the key properties of 4-[4-[5-(1H-indol-5-yl)furan-2-yl]-6-morpholin-4-ylpyrimidin-2-yl]morpholine?
4-[4-[5-(1H-indol-5-yl)furan-2-yl]-6-morpholin-4-ylpyrimidin-2-yl]morpholine has a molecular weight of 431.50 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-(1H-indol-5-yl)furan-2-yl]-6-morpholin-4-ylpyrimidin-2-yl]morpholine is sourced from PubChem (CID 45487737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).