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

C26H28F2N8O3 — CID 11720813

IUPACN-cyclopropyl-2,4-difluoro-5-[[6-[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide
SMILESCC(C)c1c(-c2nnc(CN3CCOCC3)o2)cn2ncnc(Nc3cc(C(=O)NC4CC4)c(F)cc3F)c12
InChIInChI=1S/C26H28F2N8O3/c1-14(2)22-17(26-34-33-21(39-26)12-35-5-7-38-8-6-35)11-36-23(22)24(29-13-30-36)32-20-9-16(18(27)10-19(20)28)25(37)31-15-3-4-15/h9-11,13-15H,3-8,12H2,1-2H3,(H,31,37)(H,29,30,32)
InChIKeyICDAWOZFLPKTNY-UHFFFAOYSA-N
MW538.56 g/mol
LogP3.65
Rot. Bonds8

About N-cyclopropyl-2,4-difluoro-5-[[6-[5-(morpholin-4-ylmethyl)-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-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide (PubChem CID 11720813) has the molecular formula C26H28F2N8O3 and a molecular weight of 538.56 g/mol. Its IUPAC name is N-cyclopropyl-2,4-difluoro-5-[[6-[5-(morpholin-4-ylmethyl)-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-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide
PubChem CID11720813
Molecular FormulaC26H28F2N8O3
Molecular Weight538.56 g/mol
Exact Mass538.23
IUPAC NameN-cyclopropyl-2,4-difluoro-5-[[6-[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide
SMILESCC(C)c1c(-c2nnc(CN3CCOCC3)o2)cn2ncnc(Nc3cc(C(=O)NC4CC4)c(F)cc3F)c12
InChIInChI=1S/C26H28F2N8O3/c1-14(2)22-17(26-34-33-21(39-26)12-35-5-7-38-8-6-35)11-36-23(22)24(29-13-30-36)32-20-9-16(18(27)10-19(20)28)25(37)31-15-3-4-15/h9-11,13-15H,3-8,12H2,1-2H3,(H,31,37)(H,29,30,32)
InChIKeyICDAWOZFLPKTNY-UHFFFAOYSA-N
XLogP3.65
TPSA122.71 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.56
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-cyclopropyl-2,4-difluoro-5-[[6-[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2,4-difluoro-5-[[6-[5-(morpholin-4-ylmethyl)-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-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide (CID 11720813) is N-cyclopropyl-2,4-difluoro-5-[[6-[5-(morpholin-4-ylmethyl)-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-(morpholin-4-ylmethyl)-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-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide is CC(C)c1c(-c2nnc(CN3CCOCC3)o2)cn2ncnc(Nc3cc(C(=O)NC4CC4)c(F)cc3F)c12.
What is the InChIKey of N-cyclopropyl-2,4-difluoro-5-[[6-[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide?
The InChIKey is ICDAWOZFLPKTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2N8O3/c1-14(2)22-17(26-34-33-21(39-26)12-35-5-7-38-8-6-35)11-36-23(22)24(29-13-30-36)32-20-9-16(18(27)10-19(20)28)25(37)31-15-3-4-15/h9-11,13-15H,3-8,12H2,1-2H3,(H,31,37)(H,29,30,32).
What are the key properties of N-cyclopropyl-2,4-difluoro-5-[[6-[5-(morpholin-4-ylmethyl)-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-(morpholin-4-ylmethyl)-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 538.56 g/mol, XLogP of 3.65, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2,4-difluoro-5-[[6-[5-(morpholin-4-ylmethyl)-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 11720813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).