ethane;2-[5-[[2-(2-fluoro-3-methylphenyl)pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]-3-methylpyrazol-1-yl]acetic acid;methanamine

C23H28FN7O3 — CID 153350448

IUPACethane;2-[5-[[2-(2-fluoro-3-methylphenyl)pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]-3-methylpyrazol-1-yl]acetic acid;methanamine
SMILESCC.CN.Cc1cc(NC(=O)c2nc(-c3cccc(C)c3F)nn3cccc23)n(CC(=O)O)n1
InChIInChI=1S/C20H17FN6O3.C2H6.CH5N/c1-11-5-3-6-13(17(11)21)19-23-18(14-7-4-8-26(14)25-19)20(30)22-15-9-12(2)24-27(15)10-16(28)29;2*1-2/h3-9H,10H2,1-2H3,(H,22,30)(H,28,29);1-2H3;2H2,1H3
InChIKeyKGJQTQLEQJYRTB-UHFFFAOYSA-N
MW469.52 g/mol
LogP3.29
Rot. Bonds5

About ethane;2-[5-[[2-(2-fluoro-3-methylphenyl)pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]-3-methylpyrazol-1-yl]acetic acid;methanamine

ethane;2-[5-[[2-(2-fluoro-3-methylphenyl)pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]-3-methylpyrazol-1-yl]acetic acid;methanamine (PubChem CID 153350448) has the molecular formula C23H28FN7O3 and a molecular weight of 469.52 g/mol. Its IUPAC name is ethane;2-[5-[[2-(2-fluoro-3-methylphenyl)pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]-3-methylpyrazol-1-yl]acetic acid;methanamine.

Molecular Properties

Compound Nameethane;2-[5-[[2-(2-fluoro-3-methylphenyl)pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]-3-methylpyrazol-1-yl]acetic acid;methanamine
PubChem CID153350448
Molecular FormulaC23H28FN7O3
Molecular Weight469.52 g/mol
Exact Mass469.22
IUPAC Nameethane;2-[5-[[2-(2-fluoro-3-methylphenyl)pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]-3-methylpyrazol-1-yl]acetic acid;methanamine
SMILESCC.CN.Cc1cc(NC(=O)c2nc(-c3cccc(C)c3F)nn3cccc23)n(CC(=O)O)n1
InChIInChI=1S/C20H17FN6O3.C2H6.CH5N/c1-11-5-3-6-13(17(11)21)19-23-18(14-7-4-8-26(14)25-19)20(30)22-15-9-12(2)24-27(15)10-16(28)29;2*1-2/h3-9H,10H2,1-2H3,(H,22,30)(H,28,29);1-2H3;2H2,1H3
InChIKeyKGJQTQLEQJYRTB-UHFFFAOYSA-N
XLogP3.29
TPSA140.43 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.52
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze ethane;2-[5-[[2-(2-fluoro-3-methylphenyl)pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]-3-methylpyrazol-1-yl]acetic acid;methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N~4~,N~4~,1-trimethyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-4,5-dicarboxamide
CID 51033482
4-(3-fluoroazetidine-1-carbonyl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-pyrazole-5-carboxamide
CID 57377630
4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid (6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-amide
CID 57377741
4-(azetidine-1-carbonyl)-1-methyl-N-[2-(5-phenyl-2-pyridin-3-yl-1,2,4-triazol-3-yl)ethyl]pyrazole-5-carboxamide
CID 71288606
7-[[4-[4-[(dimethylamino)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-~{N},3-dimethyl-imidazo[1,5-a]pyridine-1-carboxamide
CID 155925933
6-cyclopropyl-N-[1-(4-fluorophenyl)pyrazol-3-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53328249
6-cyclopropyl-N-[1-(2-hydroxyethyl)-3-phenylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53328252
5-(2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl)-1-methyl-1H-pyrazole-4-carboxylic acid
CID 67775229
4-(3-methoxy-azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid [2-(3-fluoro-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-amide
CID 67775470
4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid [2-(3-fluoro-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-amide
CID 67776704
5-N-[2-(3-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 69936421
4-N-[2-(2-fluoroethoxy)ethyl]-4-N,1-dimethyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 87382935

Frequently Asked Questions

What is the IUPAC name of ethane;2-[5-[[2-(2-fluoro-3-methylphenyl)pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]-3-methylpyrazol-1-yl]acetic acid;methanamine?
The IUPAC name of ethane;2-[5-[[2-(2-fluoro-3-methylphenyl)pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]-3-methylpyrazol-1-yl]acetic acid;methanamine (CID 153350448) is ethane;2-[5-[[2-(2-fluoro-3-methylphenyl)pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]-3-methylpyrazol-1-yl]acetic acid;methanamine.
What is the SMILES notation for ethane;2-[5-[[2-(2-fluoro-3-methylphenyl)pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]-3-methylpyrazol-1-yl]acetic acid;methanamine?
The canonical SMILES for ethane;2-[5-[[2-(2-fluoro-3-methylphenyl)pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]-3-methylpyrazol-1-yl]acetic acid;methanamine is CC.CN.Cc1cc(NC(=O)c2nc(-c3cccc(C)c3F)nn3cccc23)n(CC(=O)O)n1.
What is the InChIKey of ethane;2-[5-[[2-(2-fluoro-3-methylphenyl)pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]-3-methylpyrazol-1-yl]acetic acid;methanamine?
The InChIKey is KGJQTQLEQJYRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN6O3.C2H6.CH5N/c1-11-5-3-6-13(17(11)21)19-23-18(14-7-4-8-26(14)25-19)20(30)22-15-9-12(2)24-27(15)10-16(28)29;2*1-2/h3-9H,10H2,1-2H3,(H,22,30)(H,28,29);1-2H3;2H2,1H3.
What are the key properties of ethane;2-[5-[[2-(2-fluoro-3-methylphenyl)pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]-3-methylpyrazol-1-yl]acetic acid;methanamine?
ethane;2-[5-[[2-(2-fluoro-3-methylphenyl)pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]-3-methylpyrazol-1-yl]acetic acid;methanamine has a molecular weight of 469.52 g/mol, XLogP of 3.29, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[5-[[2-(2-fluoro-3-methylphenyl)pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]-3-methylpyrazol-1-yl]acetic acid;methanamine is sourced from PubChem (CID 153350448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).