2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-yl-6-(piperazin-1-ylmethyl)furo[3,2-d]pyrimidine

C23H25FN6O2 — CID 25124701

IUPAC2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-yl-6-(piperazin-1-ylmethyl)furo[3,2-d]pyrimidine
SMILESFc1ccc2[nH]ccc2c1-c1nc(N2CCOCC2)c2oc(CN3CCNCC3)cc2n1
InChIInChI=1S/C23H25FN6O2/c24-17-1-2-18-16(3-4-26-18)20(17)22-27-19-13-15(14-29-7-5-25-6-8-29)32-21(19)23(28-22)30-9-11-31-12-10-30/h1-4,13,25-26H,5-12,14H2
InChIKeyLUOPMMLHSJZFAW-UHFFFAOYSA-N
MW436.49 g/mol
LogP2.75
Rot. Bonds4

About 2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-yl-6-(piperazin-1-ylmethyl)furo[3,2-d]pyrimidine

2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-yl-6-(piperazin-1-ylmethyl)furo[3,2-d]pyrimidine (PubChem CID 25124701) has the molecular formula C23H25FN6O2 and a molecular weight of 436.49 g/mol. Its IUPAC name is 2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-yl-6-(piperazin-1-ylmethyl)furo[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-yl-6-(piperazin-1-ylmethyl)furo[3,2-d]pyrimidine
PubChem CID25124701
Molecular FormulaC23H25FN6O2
Molecular Weight436.49 g/mol
Exact Mass436.20
IUPAC Name2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-yl-6-(piperazin-1-ylmethyl)furo[3,2-d]pyrimidine
SMILESFc1ccc2[nH]ccc2c1-c1nc(N2CCOCC2)c2oc(CN3CCNCC3)cc2n1
InChIInChI=1S/C23H25FN6O2/c24-17-1-2-18-16(3-4-26-18)20(17)22-27-19-13-15(14-29-7-5-25-6-8-29)32-21(19)23(28-22)30-9-11-31-12-10-30/h1-4,13,25-26H,5-12,14H2
InChIKeyLUOPMMLHSJZFAW-UHFFFAOYSA-N
XLogP2.75
TPSA82.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-yl-6-(piperazin-1-ylmethyl)furo[3,2-d]pyrimidine?
The IUPAC name of 2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-yl-6-(piperazin-1-ylmethyl)furo[3,2-d]pyrimidine (CID 25124701) is 2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-yl-6-(piperazin-1-ylmethyl)furo[3,2-d]pyrimidine.
What is the SMILES notation for 2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-yl-6-(piperazin-1-ylmethyl)furo[3,2-d]pyrimidine?
The canonical SMILES for 2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-yl-6-(piperazin-1-ylmethyl)furo[3,2-d]pyrimidine is Fc1ccc2[nH]ccc2c1-c1nc(N2CCOCC2)c2oc(CN3CCNCC3)cc2n1.
What is the InChIKey of 2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-yl-6-(piperazin-1-ylmethyl)furo[3,2-d]pyrimidine?
The InChIKey is LUOPMMLHSJZFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6O2/c24-17-1-2-18-16(3-4-26-18)20(17)22-27-19-13-15(14-29-7-5-25-6-8-29)32-21(19)23(28-22)30-9-11-31-12-10-30/h1-4,13,25-26H,5-12,14H2.
What are the key properties of 2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-yl-6-(piperazin-1-ylmethyl)furo[3,2-d]pyrimidine?
2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-yl-6-(piperazin-1-ylmethyl)furo[3,2-d]pyrimidine has a molecular weight of 436.49 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-yl-6-(piperazin-1-ylmethyl)furo[3,2-d]pyrimidine is sourced from PubChem (CID 25124701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).