4-[[4-amino-5-(1H-indazol-4-yl)-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-3-fluoro-N,N-dimethylbenzamide

C25H25FN8O — CID 134448443

IUPAC4-[[4-amino-5-(1H-indazol-4-yl)-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-3-fluoro-N,N-dimethylbenzamide
SMILESCC(C)c1cc(-c2cccc3[nH]ncc23)c2c(N)nc(Nc3ccc(C(=O)N(C)C)cc3F)nn12
InChIInChI=1S/C25H25FN8O/c1-13(2)21-11-16(15-6-5-7-19-17(15)12-28-31-19)22-23(27)30-25(32-34(21)22)29-20-9-8-14(10-18(20)26)24(35)33(3)4/h5-13H,1-4H3,(H,28,31)(H3,27,29,30,32)
InChIKeyQZGMVLXYOAWFBF-UHFFFAOYSA-N
MW472.53 g/mol
LogP4.56
Rot. Bonds5

About 4-[[4-amino-5-(1H-indazol-4-yl)-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-3-fluoro-N,N-dimethylbenzamide

4-[[4-amino-5-(1H-indazol-4-yl)-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-3-fluoro-N,N-dimethylbenzamide (PubChem CID 134448443) has the molecular formula C25H25FN8O and a molecular weight of 472.53 g/mol. Its IUPAC name is 4-[[4-amino-5-(1H-indazol-4-yl)-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-3-fluoro-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[4-amino-5-(1H-indazol-4-yl)-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-3-fluoro-N,N-dimethylbenzamide
PubChem CID134448443
Molecular FormulaC25H25FN8O
Molecular Weight472.53 g/mol
Exact Mass472.21
IUPAC Name4-[[4-amino-5-(1H-indazol-4-yl)-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-3-fluoro-N,N-dimethylbenzamide
SMILESCC(C)c1cc(-c2cccc3[nH]ncc23)c2c(N)nc(Nc3ccc(C(=O)N(C)C)cc3F)nn12
InChIInChI=1S/C25H25FN8O/c1-13(2)21-11-16(15-6-5-7-19-17(15)12-28-31-19)22-23(27)30-25(32-34(21)22)29-20-9-8-14(10-18(20)26)24(35)33(3)4/h5-13H,1-4H3,(H,28,31)(H3,27,29,30,32)
InChIKeyQZGMVLXYOAWFBF-UHFFFAOYSA-N
XLogP4.56
TPSA117.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.53
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[[4-amino-5-(1H-indazol-4-yl)-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-3-fluoro-N,N-dimethylbenzamide 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 4-[[4-amino-5-(1H-indazol-4-yl)-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-3-fluoro-N,N-dimethylbenzamide?
The IUPAC name of 4-[[4-amino-5-(1H-indazol-4-yl)-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-3-fluoro-N,N-dimethylbenzamide (CID 134448443) is 4-[[4-amino-5-(1H-indazol-4-yl)-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-3-fluoro-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[4-amino-5-(1H-indazol-4-yl)-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-3-fluoro-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[4-amino-5-(1H-indazol-4-yl)-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-3-fluoro-N,N-dimethylbenzamide is CC(C)c1cc(-c2cccc3[nH]ncc23)c2c(N)nc(Nc3ccc(C(=O)N(C)C)cc3F)nn12.
What is the InChIKey of 4-[[4-amino-5-(1H-indazol-4-yl)-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-3-fluoro-N,N-dimethylbenzamide?
The InChIKey is QZGMVLXYOAWFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN8O/c1-13(2)21-11-16(15-6-5-7-19-17(15)12-28-31-19)22-23(27)30-25(32-34(21)22)29-20-9-8-14(10-18(20)26)24(35)33(3)4/h5-13H,1-4H3,(H,28,31)(H3,27,29,30,32).
What are the key properties of 4-[[4-amino-5-(1H-indazol-4-yl)-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-3-fluoro-N,N-dimethylbenzamide?
4-[[4-amino-5-(1H-indazol-4-yl)-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-3-fluoro-N,N-dimethylbenzamide has a molecular weight of 472.53 g/mol, XLogP of 4.56, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-amino-5-(1H-indazol-4-yl)-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-3-fluoro-N,N-dimethylbenzamide is sourced from PubChem (CID 134448443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).