4-amino-7-pyridin-4-yl-N-(2-pyridin-3-ylethyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide

C19H17N7O — CID 71225010

IUPAC4-amino-7-pyridin-4-yl-N-(2-pyridin-3-ylethyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
SMILESNc1ncnn2c(-c3ccncc3)cc(C(=O)NCCc3cccnc3)c12
InChIInChI=1S/C19H17N7O/c20-18-17-15(19(27)23-9-3-13-2-1-6-22-11-13)10-16(26(17)25-12-24-18)14-4-7-21-8-5-14/h1-2,4-8,10-12H,3,9H2,(H,23,27)(H2,20,24,25)
InChIKeySCORJLHPHUMJON-UHFFFAOYSA-N
MW359.39 g/mol
LogP1.74
Rot. Bonds5

About 4-amino-7-pyridin-4-yl-N-(2-pyridin-3-ylethyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide

4-amino-7-pyridin-4-yl-N-(2-pyridin-3-ylethyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide (PubChem CID 71225010) has the molecular formula C19H17N7O and a molecular weight of 359.39 g/mol. Its IUPAC name is 4-amino-7-pyridin-4-yl-N-(2-pyridin-3-ylethyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide.

Molecular Properties

Compound Name4-amino-7-pyridin-4-yl-N-(2-pyridin-3-ylethyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
PubChem CID71225010
Molecular FormulaC19H17N7O
Molecular Weight359.39 g/mol
Exact Mass359.15
IUPAC Name4-amino-7-pyridin-4-yl-N-(2-pyridin-3-ylethyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
SMILESNc1ncnn2c(-c3ccncc3)cc(C(=O)NCCc3cccnc3)c12
InChIInChI=1S/C19H17N7O/c20-18-17-15(19(27)23-9-3-13-2-1-6-22-11-13)10-16(26(17)25-12-24-18)14-4-7-21-8-5-14/h1-2,4-8,10-12H,3,9H2,(H,23,27)(H2,20,24,25)
InChIKeySCORJLHPHUMJON-UHFFFAOYSA-N
XLogP1.74
TPSA111.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-7-pyridin-4-yl-N-(2-pyridin-3-ylethyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide?
The IUPAC name of 4-amino-7-pyridin-4-yl-N-(2-pyridin-3-ylethyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide (CID 71225010) is 4-amino-7-pyridin-4-yl-N-(2-pyridin-3-ylethyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide.
What is the SMILES notation for 4-amino-7-pyridin-4-yl-N-(2-pyridin-3-ylethyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide?
The canonical SMILES for 4-amino-7-pyridin-4-yl-N-(2-pyridin-3-ylethyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide is Nc1ncnn2c(-c3ccncc3)cc(C(=O)NCCc3cccnc3)c12.
What is the InChIKey of 4-amino-7-pyridin-4-yl-N-(2-pyridin-3-ylethyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide?
The InChIKey is SCORJLHPHUMJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O/c20-18-17-15(19(27)23-9-3-13-2-1-6-22-11-13)10-16(26(17)25-12-24-18)14-4-7-21-8-5-14/h1-2,4-8,10-12H,3,9H2,(H,23,27)(H2,20,24,25).
What are the key properties of 4-amino-7-pyridin-4-yl-N-(2-pyridin-3-ylethyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide?
4-amino-7-pyridin-4-yl-N-(2-pyridin-3-ylethyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-pyridin-4-yl-N-(2-pyridin-3-ylethyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide is sourced from PubChem (CID 71225010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).