2-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-N-[2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]pyridine-2,4-diamine

C24H26F2N8O — CID 126484360

IUPAC2-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-N-[2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]pyridine-2,4-diamine
SMILESCOc1cccc(-c2nc(Nc3ccnc(NCCN4CCC(F)(F)CC4)c3)c3cccn3n2)n1
InChIInChI=1S/C24H26F2N8O/c1-35-21-6-2-4-18(30-21)22-31-23(19-5-3-12-34(19)32-22)29-17-7-10-27-20(16-17)28-11-15-33-13-8-24(25,26)9-14-33/h2-7,10,12,16H,8-9,11,13-15H2,1H3,(H2,27,28,29,31,32)
InChIKeyAMHJBUOXSPPOQG-UHFFFAOYSA-N
MW480.52 g/mol
LogP4.08
Rot. Bonds8

About 2-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-N-[2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]pyridine-2,4-diamine

2-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-N-[2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]pyridine-2,4-diamine (PubChem CID 126484360) has the molecular formula C24H26F2N8O and a molecular weight of 480.52 g/mol. Its IUPAC name is 2-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-N-[2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]pyridine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-N-[2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]pyridine-2,4-diamine
PubChem CID126484360
Molecular FormulaC24H26F2N8O
Molecular Weight480.52 g/mol
Exact Mass480.22
IUPAC Name2-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-N-[2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]pyridine-2,4-diamine
SMILESCOc1cccc(-c2nc(Nc3ccnc(NCCN4CCC(F)(F)CC4)c3)c3cccn3n2)n1
InChIInChI=1S/C24H26F2N8O/c1-35-21-6-2-4-18(30-21)22-31-23(19-5-3-12-34(19)32-22)29-17-7-10-27-20(16-17)28-11-15-33-13-8-24(25,26)9-14-33/h2-7,10,12,16H,8-9,11,13-15H2,1H3,(H2,27,28,29,31,32)
InChIKeyAMHJBUOXSPPOQG-UHFFFAOYSA-N
XLogP4.08
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.52
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-N-[2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]pyridine-2,4-diamine with MolForge

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Related Compounds

4-N-[2-(6-methoxy-2-pyridinyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]-2-N-(2-morpholin-4-ylethyl)pyridine-2,4-diamine
CID 135262205
2-N-(1-cyclobutylidene-2-methoxyethyl)-4-N-[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]pyridine-2,4-diamine
CID 145236208
methyl N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]carbamate
CID 126484459
ethane;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide
CID 145236214
2-pyrrolidin-1-yl-N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide
CID 145236132
2-chloro-N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide
CID 126484161
N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]methanesulfonamide
CID 126484227
N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]propanamide
CID 145236062
2-(4-prop-1-en-2-ylpiperazin-1-yl)-N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide
CID 126499814
N-[3-(difluoromethyl)-4-pyridinyl]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 135262249
3,3-difluorohexane;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]butanamide
CID 145236138
5-chloro-2-(6-methoxy-2-pyridinyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 126499369

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-N-[2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]pyridine-2,4-diamine?
The IUPAC name of 2-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-N-[2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]pyridine-2,4-diamine (CID 126484360) is 2-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-N-[2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]pyridine-2,4-diamine.
What is the SMILES notation for 2-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-N-[2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]pyridine-2,4-diamine?
The canonical SMILES for 2-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-N-[2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]pyridine-2,4-diamine is COc1cccc(-c2nc(Nc3ccnc(NCCN4CCC(F)(F)CC4)c3)c3cccn3n2)n1.
What is the InChIKey of 2-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-N-[2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]pyridine-2,4-diamine?
The InChIKey is AMHJBUOXSPPOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N8O/c1-35-21-6-2-4-18(30-21)22-31-23(19-5-3-12-34(19)32-22)29-17-7-10-27-20(16-17)28-11-15-33-13-8-24(25,26)9-14-33/h2-7,10,12,16H,8-9,11,13-15H2,1H3,(H2,27,28,29,31,32).
What are the key properties of 2-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-N-[2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]pyridine-2,4-diamine?
2-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-N-[2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]pyridine-2,4-diamine has a molecular weight of 480.52 g/mol, XLogP of 4.08, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-N-[2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]pyridine-2,4-diamine is sourced from PubChem (CID 126484360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).