1-[[2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidin-4-amine

C26H31FN6O2 — CID 25124365

IUPAC1-[[2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(Cc2cc3nc(-c4c(F)ccc5[nH]ccc45)nc(N4CCOCC4)c3o2)CC1
InChIInChI=1S/C26H31FN6O2/c1-31(2)17-6-9-32(10-7-17)16-18-15-22-24(35-18)26(33-11-13-34-14-12-33)30-25(29-22)23-19-5-8-28-21(19)4-3-20(23)27/h3-5,8,15,17,28H,6-7,9-14,16H2,1-2H3
InChIKeyGICKBLSCZKIHKQ-UHFFFAOYSA-N
MW478.57 g/mol
LogP3.87
Rot. Bonds5

About 1-[[2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidin-4-amine

1-[[2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidin-4-amine (PubChem CID 25124365) has the molecular formula C26H31FN6O2 and a molecular weight of 478.57 g/mol. Its IUPAC name is 1-[[2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[[2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidin-4-amine
PubChem CID25124365
Molecular FormulaC26H31FN6O2
Molecular Weight478.57 g/mol
Exact Mass478.25
IUPAC Name1-[[2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(Cc2cc3nc(-c4c(F)ccc5[nH]ccc45)nc(N4CCOCC4)c3o2)CC1
InChIInChI=1S/C26H31FN6O2/c1-31(2)17-6-9-32(10-7-17)16-18-15-22-24(35-18)26(33-11-13-34-14-12-33)30-25(29-22)23-19-5-8-28-21(19)4-3-20(23)27/h3-5,8,15,17,28H,6-7,9-14,16H2,1-2H3
InChIKeyGICKBLSCZKIHKQ-UHFFFAOYSA-N
XLogP3.87
TPSA73.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-[[2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidin-4-amine (CID 25124365) is 1-[[2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[[2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[[2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidin-4-amine is CN(C)C1CCN(Cc2cc3nc(-c4c(F)ccc5[nH]ccc45)nc(N4CCOCC4)c3o2)CC1.
What is the InChIKey of 1-[[2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidin-4-amine?
The InChIKey is GICKBLSCZKIHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN6O2/c1-31(2)17-6-9-32(10-7-17)16-18-15-22-24(35-18)26(33-11-13-34-14-12-33)30-25(29-22)23-19-5-8-28-21(19)4-3-20(23)27/h3-5,8,15,17,28H,6-7,9-14,16H2,1-2H3.
What are the key properties of 1-[[2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidin-4-amine?
1-[[2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidin-4-amine has a molecular weight of 478.57 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 25124365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).