N-[4-[[6-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]-2-pyrrolidin-1-ylacetamide

C24H23F3N8O — CID 126499854

IUPACN-[4-[[6-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]-2-pyrrolidin-1-ylacetamide
SMILESCc1cc2c(Nc3ccnc(NC(=O)CN4CCCC4)c3)nc(-c3cccc(C(F)(F)F)n3)nn2c1
InChIInChI=1S/C24H23F3N8O/c1-15-11-18-23(29-16-7-8-28-20(12-16)31-21(36)14-34-9-2-3-10-34)32-22(33-35(18)13-15)17-5-4-6-19(30-17)24(25,26)27/h4-8,11-13H,2-3,9-10,14H2,1H3,(H2,28,29,31,32,33,36)
InChIKeyMLNDDKXZXANICE-UHFFFAOYSA-N
MW496.50 g/mol
LogP4.29
Rot. Bonds6

About N-[4-[[6-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]-2-pyrrolidin-1-ylacetamide

N-[4-[[6-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]-2-pyrrolidin-1-ylacetamide (PubChem CID 126499854) has the molecular formula C24H23F3N8O and a molecular weight of 496.50 g/mol. Its IUPAC name is N-[4-[[6-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[4-[[6-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]-2-pyrrolidin-1-ylacetamide
PubChem CID126499854
Molecular FormulaC24H23F3N8O
Molecular Weight496.50 g/mol
Exact Mass496.19
IUPAC NameN-[4-[[6-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]-2-pyrrolidin-1-ylacetamide
SMILESCc1cc2c(Nc3ccnc(NC(=O)CN4CCCC4)c3)nc(-c3cccc(C(F)(F)F)n3)nn2c1
InChIInChI=1S/C24H23F3N8O/c1-15-11-18-23(29-16-7-8-28-20(12-16)31-21(36)14-34-9-2-3-10-34)32-22(33-35(18)13-15)17-5-4-6-19(30-17)24(25,26)27/h4-8,11-13H,2-3,9-10,14H2,1H3,(H2,28,29,31,32,33,36)
InChIKeyMLNDDKXZXANICE-UHFFFAOYSA-N
XLogP4.29
TPSA100.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.50
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[4-[[6-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]-2-pyrrolidin-1-ylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[4-[[6-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]-2-pyrrolidin-1-ylacetamide (CID 126499854) is N-[4-[[6-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[4-[[6-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[4-[[6-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]-2-pyrrolidin-1-ylacetamide is Cc1cc2c(Nc3ccnc(NC(=O)CN4CCCC4)c3)nc(-c3cccc(C(F)(F)F)n3)nn2c1.
What is the InChIKey of N-[4-[[6-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]-2-pyrrolidin-1-ylacetamide?
The InChIKey is MLNDDKXZXANICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N8O/c1-15-11-18-23(29-16-7-8-28-20(12-16)31-21(36)14-34-9-2-3-10-34)32-22(33-35(18)13-15)17-5-4-6-19(30-17)24(25,26)27/h4-8,11-13H,2-3,9-10,14H2,1H3,(H2,28,29,31,32,33,36).
What are the key properties of N-[4-[[6-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]-2-pyrrolidin-1-ylacetamide?
N-[4-[[6-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]-2-pyrrolidin-1-ylacetamide has a molecular weight of 496.50 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 126499854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).