7-(4-fluorophenyl)-N,N-dimethyl-2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide

C25H27FN8O — CID 166563030

IUPAC7-(4-fluorophenyl)-N,N-dimethyl-2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
SMILESCN1CCN(c2ccc(Nc3ncc4cc(C(=O)N(C)C)c(-c5ccc(F)cc5)n4n3)nc2)CC1
InChIInChI=1S/C25H27FN8O/c1-31(2)24(35)21-14-20-16-28-25(30-34(20)23(21)17-4-6-18(26)7-5-17)29-22-9-8-19(15-27-22)33-12-10-32(3)11-13-33/h4-9,14-16H,10-13H2,1-3H3,(H,27,29,30)
InChIKeyJQWROSCOQGLMQX-UHFFFAOYSA-N
MW474.54 g/mol
LogP3.13
Rot. Bonds5

About 7-(4-fluorophenyl)-N,N-dimethyl-2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide

7-(4-fluorophenyl)-N,N-dimethyl-2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide (PubChem CID 166563030) has the molecular formula C25H27FN8O and a molecular weight of 474.54 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-N,N-dimethyl-2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide.

Molecular Properties

Compound Name7-(4-fluorophenyl)-N,N-dimethyl-2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
PubChem CID166563030
Molecular FormulaC25H27FN8O
Molecular Weight474.54 g/mol
Exact Mass474.23
IUPAC Name7-(4-fluorophenyl)-N,N-dimethyl-2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
SMILESCN1CCN(c2ccc(Nc3ncc4cc(C(=O)N(C)C)c(-c5ccc(F)cc5)n4n3)nc2)CC1
InChIInChI=1S/C25H27FN8O/c1-31(2)24(35)21-14-20-16-28-25(30-34(20)23(21)17-4-6-18(26)7-5-17)29-22-9-8-19(15-27-22)33-12-10-32(3)11-13-33/h4-9,14-16H,10-13H2,1-3H3,(H,27,29,30)
InChIKeyJQWROSCOQGLMQX-UHFFFAOYSA-N
XLogP3.13
TPSA81.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-(4-fluorophenyl)-N,N-dimethyl-2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide with MolForge

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Related Compounds

7-(4-hydroxyphenyl)-N,N-dimethyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 166563025
2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-7-(4-fluoro-2-methoxyphenyl)-N,N-dimethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 166563028
N,N-dimethyl-2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-6,7-dihydro-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide
CID 175096890
1-[7-(4-chlorophenyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrrolidin-2-one
CID 166562940
7-(cyclopenten-1-yl)-6-(1,3-dimethylpyrazol-4-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 166562983
N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]hydroxylamine
CID 142567302
1-[6-(dimethylsulfamoylamino)-3-pyridinyl]-4-(4-fluorophenyl)piperazine
CID 113028878
tert-butyl 4-[6-[[7-cyclopentyl-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-3-pyridinyl]piperazine-1-carboxylate
CID 166562981
7-(cyclopenten-1-yl)-6-(1,3-oxazol-5-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 155432629
N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-(4-methylpiperazin-1-yl)pyridin-2-amine
CID 171350063
2,6-difluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzamide
CID 86992589
N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]thieno[3,2-d]pyrimidin-2-amine
CID 151602434

Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-N,N-dimethyl-2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide?
The IUPAC name of 7-(4-fluorophenyl)-N,N-dimethyl-2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide (CID 166563030) is 7-(4-fluorophenyl)-N,N-dimethyl-2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide.
What is the SMILES notation for 7-(4-fluorophenyl)-N,N-dimethyl-2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide?
The canonical SMILES for 7-(4-fluorophenyl)-N,N-dimethyl-2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide is CN1CCN(c2ccc(Nc3ncc4cc(C(=O)N(C)C)c(-c5ccc(F)cc5)n4n3)nc2)CC1.
What is the InChIKey of 7-(4-fluorophenyl)-N,N-dimethyl-2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide?
The InChIKey is JQWROSCOQGLMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN8O/c1-31(2)24(35)21-14-20-16-28-25(30-34(20)23(21)17-4-6-18(26)7-5-17)29-22-9-8-19(15-27-22)33-12-10-32(3)11-13-33/h4-9,14-16H,10-13H2,1-3H3,(H,27,29,30).
What are the key properties of 7-(4-fluorophenyl)-N,N-dimethyl-2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide?
7-(4-fluorophenyl)-N,N-dimethyl-2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide has a molecular weight of 474.54 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-N,N-dimethyl-2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide is sourced from PubChem (CID 166563030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).