N-(3-chloro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

C17H13ClN6O — CID 126499842

IUPACN-(3-chloro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCOc1cccc(-c2nc(Nc3ccncc3Cl)c3cccn3n2)n1
InChIInChI=1S/C17H13ClN6O/c1-25-15-6-2-4-13(20-15)16-22-17(14-5-3-9-24(14)23-16)21-12-7-8-19-10-11(12)18/h2-10H,1H3,(H,19,21,22,23)
InChIKeyPNAKQFXKRRFMTK-UHFFFAOYSA-N
MW352.79 g/mol
LogP3.59
Rot. Bonds4

About N-(3-chloro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

N-(3-chloro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 126499842) has the molecular formula C17H13ClN6O and a molecular weight of 352.79 g/mol. Its IUPAC name is N-(3-chloro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID126499842
Molecular FormulaC17H13ClN6O
Molecular Weight352.79 g/mol
Exact Mass352.08
IUPAC NameN-(3-chloro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCOc1cccc(-c2nc(Nc3ccncc3Cl)c3cccn3n2)n1
InChIInChI=1S/C17H13ClN6O/c1-25-15-6-2-4-13(20-15)16-22-17(14-5-3-9-24(14)23-16)21-12-7-8-19-10-11(12)18/h2-10H,1H3,(H,19,21,22,23)
InChIKeyPNAKQFXKRRFMTK-UHFFFAOYSA-N
XLogP3.59
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.79
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(3-chloro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine 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-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-7-(6-methoxy-3-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 57394180
N-[(3-chlorophenyl) methyl]-3-(6-methoxy-3-pyridyl)imidazo [1,2-b]pyridazin-6-amine
CID 45489227
4-(2-(6-methoxypyridin-3-ylamino)-5-(1-methyl-1H-pyrazol-4-yl)pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amine
CID 49785518
5-[(4-aminopiperidin-1-yl)methyl]-N-(3-chloro-4-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 53322058
3-(3-Chloro-4-pyridinyl)-12-methoxy-5,7-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 56648763
3-(4-ethoxyphenyl)-N-(1-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine
CID 71667612
US9266891, III-39
CID 76070631
US10336761, Example 214
CID 126499902
1-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 661366
6-chloro-N-(4-methoxyphenyl)-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine
CID 4159072
6-Chloro-2-[4-(2-methoxyphenyl)piperazin-1-ylmethyl]imidazo[1,2-b]pyridazine
CID 11581237
3-(5-Chloro-4-methyl-3-pyridinyl)-1-methyl-6-(pyridin-2-ylmethoxy)pyrazolo[3,4-b]pyrazine
CID 76325410

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of N-(3-chloro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 126499842) is N-(3-chloro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for N-(3-chloro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for N-(3-chloro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is COc1cccc(-c2nc(Nc3ccncc3Cl)c3cccn3n2)n1.
What is the InChIKey of N-(3-chloro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is PNAKQFXKRRFMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN6O/c1-25-15-6-2-4-13(20-15)16-22-17(14-5-3-9-24(14)23-16)21-12-7-8-19-10-11(12)18/h2-10H,1H3,(H,19,21,22,23).
What are the key properties of N-(3-chloro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
N-(3-chloro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 352.79 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 126499842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).