5-[[4-(methylamino)piperidin-1-yl]methyl]-N-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine

C24H30N8O — CID 118009035

IUPAC5-[[4-(methylamino)piperidin-1-yl]methyl]-N-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCNC1CCN(Cc2ccn3ncnc(Nc4cccc(-c5nnc(C(C)C)o5)c4)c23)CC1
InChIInChI=1S/C24H30N8O/c1-16(2)23-29-30-24(33-23)17-5-4-6-20(13-17)28-22-21-18(7-12-32(21)27-15-26-22)14-31-10-8-19(25-3)9-11-31/h4-7,12-13,15-16,19,25H,8-11,14H2,1-3H3,(H,26,27,28)
InChIKeyXPNBLLPQLGAAEB-UHFFFAOYSA-N
MW446.56 g/mol
LogP3.83
Rot. Bonds7

About 5-[[4-(methylamino)piperidin-1-yl]methyl]-N-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine

5-[[4-(methylamino)piperidin-1-yl]methyl]-N-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 118009035) has the molecular formula C24H30N8O and a molecular weight of 446.56 g/mol. Its IUPAC name is 5-[[4-(methylamino)piperidin-1-yl]methyl]-N-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name5-[[4-(methylamino)piperidin-1-yl]methyl]-N-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID118009035
Molecular FormulaC24H30N8O
Molecular Weight446.56 g/mol
Exact Mass446.25
IUPAC Name5-[[4-(methylamino)piperidin-1-yl]methyl]-N-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCNC1CCN(Cc2ccn3ncnc(Nc4cccc(-c5nnc(C(C)C)o5)c4)c23)CC1
InChIInChI=1S/C24H30N8O/c1-16(2)23-29-30-24(33-23)17-5-4-6-20(13-17)28-22-21-18(7-12-32(21)27-15-26-22)14-31-10-8-19(25-3)9-11-31/h4-7,12-13,15-16,19,25H,8-11,14H2,1-3H3,(H,26,27,28)
InChIKeyXPNBLLPQLGAAEB-UHFFFAOYSA-N
XLogP3.83
TPSA96.41 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-[[4-(methylamino)piperidin-1-yl]methyl]-N-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(methylamino)piperidin-1-yl]methyl]-N-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 5-[[4-(methylamino)piperidin-1-yl]methyl]-N-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 118009035) is 5-[[4-(methylamino)piperidin-1-yl]methyl]-N-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 5-[[4-(methylamino)piperidin-1-yl]methyl]-N-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 5-[[4-(methylamino)piperidin-1-yl]methyl]-N-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is CNC1CCN(Cc2ccn3ncnc(Nc4cccc(-c5nnc(C(C)C)o5)c4)c23)CC1.
What is the InChIKey of 5-[[4-(methylamino)piperidin-1-yl]methyl]-N-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is XPNBLLPQLGAAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N8O/c1-16(2)23-29-30-24(33-23)17-5-4-6-20(13-17)28-22-21-18(7-12-32(21)27-15-26-22)14-31-10-8-19(25-3)9-11-31/h4-7,12-13,15-16,19,25H,8-11,14H2,1-3H3,(H,26,27,28).
What are the key properties of 5-[[4-(methylamino)piperidin-1-yl]methyl]-N-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
5-[[4-(methylamino)piperidin-1-yl]methyl]-N-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 446.56 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(methylamino)piperidin-1-yl]methyl]-N-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 118009035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).