4-amino-N-[4-(cyclopentylcarbamoylamino)phenyl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide

C19H21N7O2 — CID 44520577

IUPAC4-amino-N-[4-(cyclopentylcarbamoylamino)phenyl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
SMILESNc1ncnn2ccc(C(=O)Nc3ccc(NC(=O)NC4CCCC4)cc3)c12
InChIInChI=1S/C19H21N7O2/c20-17-16-15(9-10-26(16)22-11-21-17)18(27)23-13-5-7-14(8-6-13)25-19(28)24-12-3-1-2-4-12/h5-12H,1-4H2,(H,23,27)(H2,20,21,22)(H2,24,25,28)
InChIKeyYBNKCSHNICXYCG-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.63
Rot. Bonds4

About 4-amino-N-[4-(cyclopentylcarbamoylamino)phenyl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide

4-amino-N-[4-(cyclopentylcarbamoylamino)phenyl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide (PubChem CID 44520577) has the molecular formula C19H21N7O2 and a molecular weight of 379.42 g/mol. Its IUPAC name is 4-amino-N-[4-(cyclopentylcarbamoylamino)phenyl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[4-(cyclopentylcarbamoylamino)phenyl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
PubChem CID44520577
Molecular FormulaC19H21N7O2
Molecular Weight379.42 g/mol
Exact Mass379.18
IUPAC Name4-amino-N-[4-(cyclopentylcarbamoylamino)phenyl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
SMILESNc1ncnn2ccc(C(=O)Nc3ccc(NC(=O)NC4CCCC4)cc3)c12
InChIInChI=1S/C19H21N7O2/c20-17-16-15(9-10-26(16)22-11-21-17)18(27)23-13-5-7-14(8-6-13)25-19(28)24-12-3-1-2-4-12/h5-12H,1-4H2,(H,23,27)(H2,20,21,22)(H2,24,25,28)
InChIKeyYBNKCSHNICXYCG-UHFFFAOYSA-N
XLogP2.63
TPSA126.44 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-amino-N-[4-(cyclopentylcarbamoylamino)phenyl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide with MolForge

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Related Compounds

Bms-582949
CID 10409068
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
4-(azetidine-1-carbonyl)-1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide
CID 71538978
N-ethyl-4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 10134493
N-(3-(1H-imidazol-1-yl)propyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3113005
3-[(6-Benzoyl-5-Methylpyrrolo[2,1-F][1,2,4]triazin-4-Yl)amino]-N-Cyclopropyl-4-Methylbenzamide
CID 10048045
4-{[5-(Methoxycarbamoyl)-2-Methylphenyl]amino}-5-Methyl-N-[(1s)-1-Phenylethyl]pyrrolo[2,1-F][1,2,4]triazine-6-Carboxamide
CID 10276213
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

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(cyclopentylcarbamoylamino)phenyl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide?
The IUPAC name of 4-amino-N-[4-(cyclopentylcarbamoylamino)phenyl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide (CID 44520577) is 4-amino-N-[4-(cyclopentylcarbamoylamino)phenyl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide.
What is the SMILES notation for 4-amino-N-[4-(cyclopentylcarbamoylamino)phenyl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide?
The canonical SMILES for 4-amino-N-[4-(cyclopentylcarbamoylamino)phenyl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide is Nc1ncnn2ccc(C(=O)Nc3ccc(NC(=O)NC4CCCC4)cc3)c12.
What is the InChIKey of 4-amino-N-[4-(cyclopentylcarbamoylamino)phenyl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide?
The InChIKey is YBNKCSHNICXYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O2/c20-17-16-15(9-10-26(16)22-11-21-17)18(27)23-13-5-7-14(8-6-13)25-19(28)24-12-3-1-2-4-12/h5-12H,1-4H2,(H,23,27)(H2,20,21,22)(H2,24,25,28).
What are the key properties of 4-amino-N-[4-(cyclopentylcarbamoylamino)phenyl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide?
4-amino-N-[4-(cyclopentylcarbamoylamino)phenyl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 2.63, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-(cyclopentylcarbamoylamino)phenyl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide is sourced from PubChem (CID 44520577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).