4-[[4-[(3-fluoro-4-pyridinyl)amino]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]cyclohexan-1-ol

C23H24FN7O — CID 126484311

IUPAC4-[[4-[(3-fluoro-4-pyridinyl)amino]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]cyclohexan-1-ol
SMILESOC1CCC(NCc2ccn3nc(-c4ccccn4)nc(Nc4ccncc4F)c23)CC1
InChIInChI=1S/C23H24FN7O/c24-18-14-25-11-8-19(18)28-23-21-15(13-27-16-4-6-17(32)7-5-16)9-12-31(21)30-22(29-23)20-3-1-2-10-26-20/h1-3,8-12,14,16-17,27,32H,4-7,13H2,(H,25,28,29,30)
InChIKeyGPJJNAGDKPAOKK-UHFFFAOYSA-N
MW433.49 g/mol
LogP3.46
Rot. Bonds6

About 4-[[4-[(3-fluoro-4-pyridinyl)amino]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]cyclohexan-1-ol

4-[[4-[(3-fluoro-4-pyridinyl)amino]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]cyclohexan-1-ol (PubChem CID 126484311) has the molecular formula C23H24FN7O and a molecular weight of 433.49 g/mol. Its IUPAC name is 4-[[4-[(3-fluoro-4-pyridinyl)amino]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[4-[(3-fluoro-4-pyridinyl)amino]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]cyclohexan-1-ol
PubChem CID126484311
Molecular FormulaC23H24FN7O
Molecular Weight433.49 g/mol
Exact Mass433.20
IUPAC Name4-[[4-[(3-fluoro-4-pyridinyl)amino]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]cyclohexan-1-ol
SMILESOC1CCC(NCc2ccn3nc(-c4ccccn4)nc(Nc4ccncc4F)c23)CC1
InChIInChI=1S/C23H24FN7O/c24-18-14-25-11-8-19(18)28-23-21-15(13-27-16-4-6-17(32)7-5-16)9-12-31(21)30-22(29-23)20-3-1-2-10-26-20/h1-3,8-12,14,16-17,27,32H,4-7,13H2,(H,25,28,29,30)
InChIKeyGPJJNAGDKPAOKK-UHFFFAOYSA-N
XLogP3.46
TPSA100.26 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-[[4-[(3-fluoro-4-pyridinyl)amino]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(3-fluoro-4-pyridinyl)amino]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]cyclohexan-1-ol?
The IUPAC name of 4-[[4-[(3-fluoro-4-pyridinyl)amino]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]cyclohexan-1-ol (CID 126484311) is 4-[[4-[(3-fluoro-4-pyridinyl)amino]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[4-[(3-fluoro-4-pyridinyl)amino]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]cyclohexan-1-ol?
The canonical SMILES for 4-[[4-[(3-fluoro-4-pyridinyl)amino]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]cyclohexan-1-ol is OC1CCC(NCc2ccn3nc(-c4ccccn4)nc(Nc4ccncc4F)c23)CC1.
What is the InChIKey of 4-[[4-[(3-fluoro-4-pyridinyl)amino]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]cyclohexan-1-ol?
The InChIKey is GPJJNAGDKPAOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN7O/c24-18-14-25-11-8-19(18)28-23-21-15(13-27-16-4-6-17(32)7-5-16)9-12-31(21)30-22(29-23)20-3-1-2-10-26-20/h1-3,8-12,14,16-17,27,32H,4-7,13H2,(H,25,28,29,30).
What are the key properties of 4-[[4-[(3-fluoro-4-pyridinyl)amino]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]cyclohexan-1-ol?
4-[[4-[(3-fluoro-4-pyridinyl)amino]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]cyclohexan-1-ol has a molecular weight of 433.49 g/mol, XLogP of 3.46, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(3-fluoro-4-pyridinyl)amino]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]cyclohexan-1-ol is sourced from PubChem (CID 126484311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).