N-cyclopropyl-2,4-difluoro-5-[[6-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide

C23H24F2N8O2 — CID 11627158

IUPACN-cyclopropyl-2,4-difluoro-5-[[6-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide
SMILESCNCc1nnc(-c2cn3ncnc(Nc4cc(C(=O)NC5CC5)c(F)cc4F)c3c2C(C)C)o1
InChIInChI=1S/C23H24F2N8O2/c1-11(2)19-14(23-32-31-18(35-23)8-26-3)9-33-20(19)21(27-10-28-33)30-17-6-13(15(24)7-16(17)25)22(34)29-12-4-5-12/h6-7,9-12,26H,4-5,8H2,1-3H3,(H,29,34)(H,27,28,30)
InChIKeyVMQFSSFLJLPVQF-UHFFFAOYSA-N
MW482.50 g/mol
LogP3.54
Rot. Bonds8

About N-cyclopropyl-2,4-difluoro-5-[[6-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide

N-cyclopropyl-2,4-difluoro-5-[[6-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide (PubChem CID 11627158) has the molecular formula C23H24F2N8O2 and a molecular weight of 482.50 g/mol. Its IUPAC name is N-cyclopropyl-2,4-difluoro-5-[[6-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2,4-difluoro-5-[[6-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide
PubChem CID11627158
Molecular FormulaC23H24F2N8O2
Molecular Weight482.50 g/mol
Exact Mass482.20
IUPAC NameN-cyclopropyl-2,4-difluoro-5-[[6-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide
SMILESCNCc1nnc(-c2cn3ncnc(Nc4cc(C(=O)NC5CC5)c(F)cc4F)c3c2C(C)C)o1
InChIInChI=1S/C23H24F2N8O2/c1-11(2)19-14(23-32-31-18(35-23)8-26-3)9-33-20(19)21(27-10-28-33)30-17-6-13(15(24)7-16(17)25)22(34)29-12-4-5-12/h6-7,9-12,26H,4-5,8H2,1-3H3,(H,29,34)(H,27,28,30)
InChIKeyVMQFSSFLJLPVQF-UHFFFAOYSA-N
XLogP3.54
TPSA122.27 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.50
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-cyclopropyl-2,4-difluoro-5-[[6-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide 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 N-cyclopropyl-2,4-difluoro-5-[[6-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide?
The IUPAC name of N-cyclopropyl-2,4-difluoro-5-[[6-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide (CID 11627158) is N-cyclopropyl-2,4-difluoro-5-[[6-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-2,4-difluoro-5-[[6-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-2,4-difluoro-5-[[6-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide is CNCc1nnc(-c2cn3ncnc(Nc4cc(C(=O)NC5CC5)c(F)cc4F)c3c2C(C)C)o1.
What is the InChIKey of N-cyclopropyl-2,4-difluoro-5-[[6-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide?
The InChIKey is VMQFSSFLJLPVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N8O2/c1-11(2)19-14(23-32-31-18(35-23)8-26-3)9-33-20(19)21(27-10-28-33)30-17-6-13(15(24)7-16(17)25)22(34)29-12-4-5-12/h6-7,9-12,26H,4-5,8H2,1-3H3,(H,29,34)(H,27,28,30).
What are the key properties of N-cyclopropyl-2,4-difluoro-5-[[6-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide?
N-cyclopropyl-2,4-difluoro-5-[[6-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide has a molecular weight of 482.50 g/mol, XLogP of 3.54, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2,4-difluoro-5-[[6-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide is sourced from PubChem (CID 11627158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).