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

C24H26F2N8O2 — CID 21049437

IUPACN-cyclopropyl-2,4-difluoro-5-[[5-propan-2-yl-6-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide
SMILESCC(C)Nc1nnc(-c2cn3ncnc(Nc4cc(C(=O)NC5CC5)c(F)cc4F)c3c2C(C)C)o1
InChIInChI=1S/C24H26F2N8O2/c1-11(2)19-15(23-32-33-24(36-23)29-12(3)4)9-34-20(19)21(27-10-28-34)31-18-7-14(16(25)8-17(18)26)22(35)30-13-5-6-13/h7-13H,5-6H2,1-4H3,(H,29,33)(H,30,35)(H,27,28,31)
InChIKeyAVSVDPPALUYPPZ-UHFFFAOYSA-N
MW496.52 g/mol
LogP4.64
Rot. Bonds8

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

N-cyclopropyl-2,4-difluoro-5-[[5-propan-2-yl-6-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide (PubChem CID 21049437) has the molecular formula C24H26F2N8O2 and a molecular weight of 496.52 g/mol. Its IUPAC name is N-cyclopropyl-2,4-difluoro-5-[[5-propan-2-yl-6-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2,4-difluoro-5-[[5-propan-2-yl-6-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide
PubChem CID21049437
Molecular FormulaC24H26F2N8O2
Molecular Weight496.52 g/mol
Exact Mass496.21
IUPAC NameN-cyclopropyl-2,4-difluoro-5-[[5-propan-2-yl-6-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide
SMILESCC(C)Nc1nnc(-c2cn3ncnc(Nc4cc(C(=O)NC5CC5)c(F)cc4F)c3c2C(C)C)o1
InChIInChI=1S/C24H26F2N8O2/c1-11(2)19-15(23-32-33-24(36-23)29-12(3)4)9-34-20(19)21(27-10-28-34)31-18-7-14(16(25)8-17(18)26)22(35)30-13-5-6-13/h7-13H,5-6H2,1-4H3,(H,29,33)(H,30,35)(H,27,28,31)
InChIKeyAVSVDPPALUYPPZ-UHFFFAOYSA-N
XLogP4.64
TPSA122.27 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.52
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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

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Launch Full Analysis

Related Compounds

Bms-645737
CID 22273644
2,4-Difluoro-5-[5-isopropyl-6-(5-methyl-oxazol-2-yl)-pyrrolo[2,1-f][1,2,4]triazin-4-ylamino]-N-methoxy-benzamide
CID 10388612
2,4-Difluoro-5-[5-isopropyl-6-(5-isopropyl-[1,3,4]oxadiazol-2-yl)-pyrrolo[2,1-f][1,2,4]triazin-4-ylamino]-N-methoxy-benzamide
CID 11442803
5-[6-(5-Dimethylamino-[1,3,4]oxadiazol-2-yl)-5-isopropyl-pyrrolo[2,1-f][1,2,4]triazin-4-ylamino]-2,4-difluoro-N-methoxy-benzamide
CID 9982235
5-[6-(5-Difluoromethyl-[1,3,4]oxadiazol-2-yl)-5-isopropyl-pyrrolo[2,1-f][1,2,4]triazin-4-ylamino]-2,4-difluoro-N-methoxy-benzamide
CID 10073832
4-(4-Fluoro-3-methoxycarbamoyl-phenylamino)-5-isopropyl-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid ethyl ester
CID 10409591
2,4-difluoro-5-(5-isopropyl-6-(5-(methylsulfonylmethyl)-1,3,4-oxadiazol-2-yl)pyrrolo(2,1-f)(1,2,4)triazin-4-ylamino)-N-methoxybenzamide
CID 10436729
2,4-Difluoro-5-[5-isopropyl-6-(5-methyl-[1,3,4]oxadiazol-2-yl)-pyrrolo[2,1-f][1,2,4]triazin-4-ylamino]-N-methoxy-benzamide
CID 10478569
5-[6-(5-Cyclopropylmethyl-[1,3,4]oxadiazol-2-yl)-5-isopropyl-pyrrolo[2,1-f][1,2,4]triazin-4-ylamino]-2,4-difluoro-N-methoxy-benzamide
CID 11155938
4-(2-Fluoro-5-methoxycarbamoyl-phenylamino)-5-isopropyl-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid ethyl ester
CID 11223754
4-(2,4-Difluoro-5-methoxycarbamoyl-phenylamino)-5-isopropyl-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid ethyl ester
CID 11350984
2,4-Difluoro-5-[6-(5-isobutyl-[1,3,4]oxadiazol-2-yl)-5-isopropyl-pyrrolo[2,1-f][1,2,4]triazin-4-ylamino]-N-methoxy-benzamide
CID 11352215

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2,4-difluoro-5-[[5-propan-2-yl-6-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide?
The IUPAC name of N-cyclopropyl-2,4-difluoro-5-[[5-propan-2-yl-6-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide (CID 21049437) is N-cyclopropyl-2,4-difluoro-5-[[5-propan-2-yl-6-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-2,4-difluoro-5-[[5-propan-2-yl-6-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-2,4-difluoro-5-[[5-propan-2-yl-6-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide is CC(C)Nc1nnc(-c2cn3ncnc(Nc4cc(C(=O)NC5CC5)c(F)cc4F)c3c2C(C)C)o1.
What is the InChIKey of N-cyclopropyl-2,4-difluoro-5-[[5-propan-2-yl-6-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide?
The InChIKey is AVSVDPPALUYPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N8O2/c1-11(2)19-15(23-32-33-24(36-23)29-12(3)4)9-34-20(19)21(27-10-28-34)31-18-7-14(16(25)8-17(18)26)22(35)30-13-5-6-13/h7-13H,5-6H2,1-4H3,(H,29,33)(H,30,35)(H,27,28,31).
What are the key properties of N-cyclopropyl-2,4-difluoro-5-[[5-propan-2-yl-6-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide?
N-cyclopropyl-2,4-difluoro-5-[[5-propan-2-yl-6-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide has a molecular weight of 496.52 g/mol, XLogP of 4.64, 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-[[5-propan-2-yl-6-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide is sourced from PubChem (CID 21049437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).