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

C23H22F2N8O — CID 126499650

IUPACN-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]-2-pyrrolidin-1-ylacetamide
SMILESO=C(CN1CCCC1)Nc1cc(Nc2nc(-c3cccc(C(F)F)n3)nn3cccc23)ccn1
InChIInChI=1S/C23H22F2N8O/c24-21(25)16-5-3-6-17(28-16)22-30-23(18-7-4-12-33(18)31-22)27-15-8-9-26-19(13-15)29-20(34)14-32-10-1-2-11-32/h3-9,12-13,21H,1-2,10-11,14H2,(H2,26,27,29,30,31,34)
InChIKeyFMHARFPNLLFDTG-UHFFFAOYSA-N
MW464.48 g/mol
LogP3.90
Rot. Bonds7

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

N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]-2-pyrrolidin-1-ylacetamide (PubChem CID 126499650) has the molecular formula C23H22F2N8O and a molecular weight of 464.48 g/mol. Its IUPAC name is N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]-2-pyrrolidin-1-ylacetamide
PubChem CID126499650
Molecular FormulaC23H22F2N8O
Molecular Weight464.48 g/mol
Exact Mass464.19
IUPAC NameN-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]-2-pyrrolidin-1-ylacetamide
SMILESO=C(CN1CCCC1)Nc1cc(Nc2nc(-c3cccc(C(F)F)n3)nn3cccc23)ccn1
InChIInChI=1S/C23H22F2N8O/c24-21(25)16-5-3-6-17(28-16)22-30-23(18-7-4-12-33(18)31-22)27-15-8-9-26-19(13-15)29-20(34)14-32-10-1-2-11-32/h3-9,12-13,21H,1-2,10-11,14H2,(H2,26,27,29,30,31,34)
InChIKeyFMHARFPNLLFDTG-UHFFFAOYSA-N
XLogP3.90
TPSA100.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.48
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[4-[[2-[6-(difluoromethyl)-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-[[2-[6-(difluoromethyl)-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-[[2-[6-(difluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]-2-pyrrolidin-1-ylacetamide (CID 126499650) is N-[4-[[2-[6-(difluoromethyl)-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-[[2-[6-(difluoromethyl)-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-[[2-[6-(difluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]-2-pyrrolidin-1-ylacetamide is O=C(CN1CCCC1)Nc1cc(Nc2nc(-c3cccc(C(F)F)n3)nn3cccc23)ccn1.
What is the InChIKey of N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]-2-pyrrolidin-1-ylacetamide?
The InChIKey is FMHARFPNLLFDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N8O/c24-21(25)16-5-3-6-17(28-16)22-30-23(18-7-4-12-33(18)31-22)27-15-8-9-26-19(13-15)29-20(34)14-32-10-1-2-11-32/h3-9,12-13,21H,1-2,10-11,14H2,(H2,26,27,29,30,31,34).
What are the key properties of N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]-2-pyrrolidin-1-ylacetamide?
N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]-2-pyrrolidin-1-ylacetamide has a molecular weight of 464.48 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 126499650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).