1-[4-[[4-(2,5-dimethylmorpholin-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3,5-triazin-2-yl]oxy]-3-fluorophenyl]-N,N-dimethylmethanamine

C25H28FN7O2 — CID 123312026

IUPAC1-[4-[[4-(2,5-dimethylmorpholin-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3,5-triazin-2-yl]oxy]-3-fluorophenyl]-N,N-dimethylmethanamine
SMILESCC1CN(c2nc(Oc3ccc(CN(C)C)cc3F)nc(-c3cnc4[nH]ccc4c3)n2)C(C)CO1
InChIInChI=1S/C25H28FN7O2/c1-15-14-34-16(2)12-33(15)24-29-23(19-10-18-7-8-27-22(18)28-11-19)30-25(31-24)35-21-6-5-17(9-20(21)26)13-32(3)4/h5-11,15-16H,12-14H2,1-4H3,(H,27,28)
InChIKeyJCFCFVVEQQXWAN-UHFFFAOYSA-N
MW477.54 g/mol
LogP4.02
Rot. Bonds6

About 1-[4-[[4-(2,5-dimethylmorpholin-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3,5-triazin-2-yl]oxy]-3-fluorophenyl]-N,N-dimethylmethanamine

1-[4-[[4-(2,5-dimethylmorpholin-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3,5-triazin-2-yl]oxy]-3-fluorophenyl]-N,N-dimethylmethanamine (PubChem CID 123312026) has the molecular formula C25H28FN7O2 and a molecular weight of 477.54 g/mol. Its IUPAC name is 1-[4-[[4-(2,5-dimethylmorpholin-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3,5-triazin-2-yl]oxy]-3-fluorophenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[4-[[4-(2,5-dimethylmorpholin-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3,5-triazin-2-yl]oxy]-3-fluorophenyl]-N,N-dimethylmethanamine
PubChem CID123312026
Molecular FormulaC25H28FN7O2
Molecular Weight477.54 g/mol
Exact Mass477.23
IUPAC Name1-[4-[[4-(2,5-dimethylmorpholin-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3,5-triazin-2-yl]oxy]-3-fluorophenyl]-N,N-dimethylmethanamine
SMILESCC1CN(c2nc(Oc3ccc(CN(C)C)cc3F)nc(-c3cnc4[nH]ccc4c3)n2)C(C)CO1
InChIInChI=1S/C25H28FN7O2/c1-15-14-34-16(2)12-33(15)24-29-23(19-10-18-7-8-27-22(18)28-11-19)30-25(31-24)35-21-6-5-17(9-20(21)26)13-32(3)4/h5-11,15-16H,12-14H2,1-4H3,(H,27,28)
InChIKeyJCFCFVVEQQXWAN-UHFFFAOYSA-N
XLogP4.02
TPSA92.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[4-[[4-(2,5-dimethylmorpholin-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3,5-triazin-2-yl]oxy]-3-fluorophenyl]-N,N-dimethylmethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(2,5-dimethylmorpholin-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3,5-triazin-2-yl]oxy]-3-fluorophenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[4-[[4-(2,5-dimethylmorpholin-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3,5-triazin-2-yl]oxy]-3-fluorophenyl]-N,N-dimethylmethanamine (CID 123312026) is 1-[4-[[4-(2,5-dimethylmorpholin-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3,5-triazin-2-yl]oxy]-3-fluorophenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[4-[[4-(2,5-dimethylmorpholin-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3,5-triazin-2-yl]oxy]-3-fluorophenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[4-[[4-(2,5-dimethylmorpholin-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3,5-triazin-2-yl]oxy]-3-fluorophenyl]-N,N-dimethylmethanamine is CC1CN(c2nc(Oc3ccc(CN(C)C)cc3F)nc(-c3cnc4[nH]ccc4c3)n2)C(C)CO1.
What is the InChIKey of 1-[4-[[4-(2,5-dimethylmorpholin-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3,5-triazin-2-yl]oxy]-3-fluorophenyl]-N,N-dimethylmethanamine?
The InChIKey is JCFCFVVEQQXWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN7O2/c1-15-14-34-16(2)12-33(15)24-29-23(19-10-18-7-8-27-22(18)28-11-19)30-25(31-24)35-21-6-5-17(9-20(21)26)13-32(3)4/h5-11,15-16H,12-14H2,1-4H3,(H,27,28).
What are the key properties of 1-[4-[[4-(2,5-dimethylmorpholin-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3,5-triazin-2-yl]oxy]-3-fluorophenyl]-N,N-dimethylmethanamine?
1-[4-[[4-(2,5-dimethylmorpholin-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3,5-triazin-2-yl]oxy]-3-fluorophenyl]-N,N-dimethylmethanamine has a molecular weight of 477.54 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-(2,5-dimethylmorpholin-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3,5-triazin-2-yl]oxy]-3-fluorophenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 123312026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).