4-[(4-amino-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbonyl)amino]butylcarbamic acid

C17H19N7O3 — CID 71225228

IUPAC4-[(4-amino-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbonyl)amino]butylcarbamic acid
SMILESNc1ncnn2c(-c3ccncc3)cc(C(=O)NCCCCNC(=O)O)c12
InChIInChI=1S/C17H19N7O3/c18-15-14-12(16(25)20-5-1-2-6-21-17(26)27)9-13(24(14)23-10-22-15)11-3-7-19-8-4-11/h3-4,7-10,21H,1-2,5-6H2,(H,20,25)(H,26,27)(H2,18,22,23)
InChIKeyZPGAGMHHXCZQPK-UHFFFAOYSA-N
MW369.39 g/mol
LogP1.15
Rot. Bonds7

About 4-[(4-amino-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbonyl)amino]butylcarbamic acid

4-[(4-amino-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbonyl)amino]butylcarbamic acid (PubChem CID 71225228) has the molecular formula C17H19N7O3 and a molecular weight of 369.39 g/mol. Its IUPAC name is 4-[(4-amino-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbonyl)amino]butylcarbamic acid.

Molecular Properties

Compound Name4-[(4-amino-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbonyl)amino]butylcarbamic acid
PubChem CID71225228
Molecular FormulaC17H19N7O3
Molecular Weight369.39 g/mol
Exact Mass369.15
IUPAC Name4-[(4-amino-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbonyl)amino]butylcarbamic acid
SMILESNc1ncnn2c(-c3ccncc3)cc(C(=O)NCCCCNC(=O)O)c12
InChIInChI=1S/C17H19N7O3/c18-15-14-12(16(25)20-5-1-2-6-21-17(26)27)9-13(24(14)23-10-22-15)11-3-7-19-8-4-11/h3-4,7-10,21H,1-2,5-6H2,(H,20,25)(H,26,27)(H2,18,22,23)
InChIKeyZPGAGMHHXCZQPK-UHFFFAOYSA-N
XLogP1.15
TPSA147.53 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 51.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[(4-amino-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbonyl)amino]butylcarbamic acid with MolForge

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Related Compounds

4-amino-7-pyridin-4-yl-N-(2-pyridin-3-ylethyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
CID 71225010
1-(4-amino-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)-4-(1H-imidazol-5-yl)butan-1-one
CID 161327405
4-amino-N-[(3-methoxyphenyl)methyl]-7-(2-methoxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
CID 71225557
4-amino-7-(2-methoxy-4-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
CID 71225265
2-amino-5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[3-(4-chlorophenyl)-3-hydroxypropyl]pyridine-3-carboxamide
CID 139349204
4-amino-7-(2-methoxy-4-pyridinyl)-N-[4-[methyl-[2-(methylamino)ethyl]carbamoyl]cyclohexyl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
CID 71225116
[4-(4-amino-5-bromopyrrolo[2,1-f][1,2,4]triazin-7-yl)-1,3-thiazol-2-yl]methylcarbamic acid
CID 90389185
5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[1-[(2-fluoro-5-methylphenyl)methyl]pyrazol-4-yl]-2-methylpyridine-3-carboxamide
CID 160662377
5-amino-2-methyl-N-[4-(2-methylimidazol-1-yl)butyl]benzamide;dihydrochloride
CID 120647272
5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-methoxy-N-[2-(3-phenylpiperidin-1-yl)ethyl]pyridine-3-carboxamide
CID 139348980
4-amino-N-[3-(dimethylamino)propyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 83567488
N-[3-(2-methylimidazol-1-yl)propyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55958474

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbonyl)amino]butylcarbamic acid?
The IUPAC name of 4-[(4-amino-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbonyl)amino]butylcarbamic acid (CID 71225228) is 4-[(4-amino-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbonyl)amino]butylcarbamic acid.
What is the SMILES notation for 4-[(4-amino-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbonyl)amino]butylcarbamic acid?
The canonical SMILES for 4-[(4-amino-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbonyl)amino]butylcarbamic acid is Nc1ncnn2c(-c3ccncc3)cc(C(=O)NCCCCNC(=O)O)c12.
What is the InChIKey of 4-[(4-amino-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbonyl)amino]butylcarbamic acid?
The InChIKey is ZPGAGMHHXCZQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O3/c18-15-14-12(16(25)20-5-1-2-6-21-17(26)27)9-13(24(14)23-10-22-15)11-3-7-19-8-4-11/h3-4,7-10,21H,1-2,5-6H2,(H,20,25)(H,26,27)(H2,18,22,23).
What are the key properties of 4-[(4-amino-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbonyl)amino]butylcarbamic acid?
4-[(4-amino-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbonyl)amino]butylcarbamic acid has a molecular weight of 369.39 g/mol, XLogP of 1.15, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbonyl)amino]butylcarbamic acid is sourced from PubChem (CID 71225228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).