2-chloro-5-fluoropyridin-4-amine;N-(2-chloro-5-fluoro-4-pyridinyl)-2-(5-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-fluoro-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine

C38H24Cl2F4N12O — CID 160972529

IUPAC2-chloro-5-fluoropyridin-4-amine;N-(2-chloro-5-fluoro-4-pyridinyl)-2-(5-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-fluoro-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine
SMILESFc1ccc(-c2nc(Nc3cc(Cl)ncc3F)c3cccn3n2)nc1.Fc1ccc(-c2nc(Oc3ccccc3)c3cccn3n2)nc1.Nc1cc(Cl)ncc1F
InChIInChI=1S/C17H11FN4O.C16H9ClF2N6.C5H4ClFN2/c18-12-8-9-14(19-11-12)16-20-17(15-7-4-10-22(15)21-16)23-13-5-2-1-3-6-13;17-14-6-12(10(19)8-21-14)22-16-13-2-1-5-25(13)24-15(23-16)11-4-3-9(18)7-20-11;6-5-1-4(8)3(7)2-9-5/h1-11H;1-8H,(H,21,22,23,24);1-2H,(H2,8,9)
InChIKeySYLGIAYJFPWHOK-UHFFFAOYSA-N
MW811.59 g/mol
LogP9.04
Rot. Bonds6

About 2-chloro-5-fluoropyridin-4-amine;N-(2-chloro-5-fluoro-4-pyridinyl)-2-(5-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-fluoro-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine

2-chloro-5-fluoropyridin-4-amine;N-(2-chloro-5-fluoro-4-pyridinyl)-2-(5-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-fluoro-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine (PubChem CID 160972529) has the molecular formula C38H24Cl2F4N12O and a molecular weight of 811.59 g/mol. Its IUPAC name is 2-chloro-5-fluoropyridin-4-amine;N-(2-chloro-5-fluoro-4-pyridinyl)-2-(5-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-fluoro-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine.

Molecular Properties

Compound Name2-chloro-5-fluoropyridin-4-amine;N-(2-chloro-5-fluoro-4-pyridinyl)-2-(5-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-fluoro-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine
PubChem CID160972529
Molecular FormulaC38H24Cl2F4N12O
Molecular Weight811.59 g/mol
Exact Mass810.15
IUPAC Name2-chloro-5-fluoropyridin-4-amine;N-(2-chloro-5-fluoro-4-pyridinyl)-2-(5-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-fluoro-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine
SMILESFc1ccc(-c2nc(Nc3cc(Cl)ncc3F)c3cccn3n2)nc1.Fc1ccc(-c2nc(Oc3ccccc3)c3cccn3n2)nc1.Nc1cc(Cl)ncc1F
InChIInChI=1S/C17H11FN4O.C16H9ClF2N6.C5H4ClFN2/c18-12-8-9-14(19-11-12)16-20-17(15-7-4-10-22(15)21-16)23-13-5-2-1-3-6-13;17-14-6-12(10(19)8-21-14)22-16-13-2-1-5-25(13)24-15(23-16)11-4-3-9(18)7-20-11;6-5-1-4(8)3(7)2-9-5/h1-11H;1-8H,(H,21,22,23,24);1-2H,(H2,8,9)
InChIKeySYLGIAYJFPWHOK-UHFFFAOYSA-N
XLogP9.04
TPSA159.22 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500811.59
LogP ≤ 59.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-5-fluoropyridin-4-amine;N-(2-chloro-5-fluoro-4-pyridinyl)-2-(5-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-fluoro-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine 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

4-[4-[5-(4-Fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine
CID 118032846
US10336761, Example 75
CID 126484356
US11834453, Example 354
CID 167318601
US11834453, Example 130
CID 167318688
US11834453, Example 429
CID 167318868
US10336761, Example 45
CID 126484406
US10336761, Example 79
CID 126484464
US10336761, Example 60
CID 126499842
US11834453, Example 409
CID 162428729
US11834453, Example 322
CID 167318574
US11834453, Example 430
CID 167318597
US11834453, Example 418
CID 167318614

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoropyridin-4-amine;N-(2-chloro-5-fluoro-4-pyridinyl)-2-(5-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-fluoro-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine?
The IUPAC name of 2-chloro-5-fluoropyridin-4-amine;N-(2-chloro-5-fluoro-4-pyridinyl)-2-(5-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-fluoro-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine (CID 160972529) is 2-chloro-5-fluoropyridin-4-amine;N-(2-chloro-5-fluoro-4-pyridinyl)-2-(5-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-fluoro-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine.
What is the SMILES notation for 2-chloro-5-fluoropyridin-4-amine;N-(2-chloro-5-fluoro-4-pyridinyl)-2-(5-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-fluoro-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine?
The canonical SMILES for 2-chloro-5-fluoropyridin-4-amine;N-(2-chloro-5-fluoro-4-pyridinyl)-2-(5-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-fluoro-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine is Fc1ccc(-c2nc(Nc3cc(Cl)ncc3F)c3cccn3n2)nc1.Fc1ccc(-c2nc(Oc3ccccc3)c3cccn3n2)nc1.Nc1cc(Cl)ncc1F.
What is the InChIKey of 2-chloro-5-fluoropyridin-4-amine;N-(2-chloro-5-fluoro-4-pyridinyl)-2-(5-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-fluoro-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine?
The InChIKey is SYLGIAYJFPWHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN4O.C16H9ClF2N6.C5H4ClFN2/c18-12-8-9-14(19-11-12)16-20-17(15-7-4-10-22(15)21-16)23-13-5-2-1-3-6-13;17-14-6-12(10(19)8-21-14)22-16-13-2-1-5-25(13)24-15(23-16)11-4-3-9(18)7-20-11;6-5-1-4(8)3(7)2-9-5/h1-11H;1-8H,(H,21,22,23,24);1-2H,(H2,8,9).
What are the key properties of 2-chloro-5-fluoropyridin-4-amine;N-(2-chloro-5-fluoro-4-pyridinyl)-2-(5-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-fluoro-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine?
2-chloro-5-fluoropyridin-4-amine;N-(2-chloro-5-fluoro-4-pyridinyl)-2-(5-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-fluoro-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine has a molecular weight of 811.59 g/mol, XLogP of 9.04, 6 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoropyridin-4-amine;N-(2-chloro-5-fluoro-4-pyridinyl)-2-(5-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-fluoro-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine is sourced from PubChem (CID 160972529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).