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

C21H16F3N7O — CID 126484366

IUPACN-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1cc(Nc2nc(-c3cccc(C(F)(F)F)n3)nn3cccc23)ccn1)C1CC1
InChIInChI=1S/C21H16F3N7O/c22-21(23,24)16-5-1-3-14(27-16)18-29-19(15-4-2-10-31(15)30-18)26-13-8-9-25-17(11-13)28-20(32)12-6-7-12/h1-5,8-12H,6-7H2,(H2,25,26,28,29,30,32)
InChIKeyJFAHUOXKADNXHK-UHFFFAOYSA-N
MW439.40 g/mol
LogP4.30
Rot. Bonds5

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

N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 126484366) has the molecular formula C21H16F3N7O and a molecular weight of 439.40 g/mol. Its IUPAC name is N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]cyclopropanecarboxamide
PubChem CID126484366
Molecular FormulaC21H16F3N7O
Molecular Weight439.40 g/mol
Exact Mass439.14
IUPAC NameN-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1cc(Nc2nc(-c3cccc(C(F)(F)F)n3)nn3cccc23)ccn1)C1CC1
InChIInChI=1S/C21H16F3N7O/c22-21(23,24)16-5-1-3-14(27-16)18-29-19(15-4-2-10-31(15)30-18)26-13-8-9-25-17(11-13)28-20(32)12-6-7-12/h1-5,8-12H,6-7H2,(H2,25,26,28,29,30,32)
InChIKeyJFAHUOXKADNXHK-UHFFFAOYSA-N
XLogP4.30
TPSA97.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.40
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]cyclopropanecarboxamide (CID 126484366) is N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]cyclopropanecarboxamide is O=C(Nc1cc(Nc2nc(-c3cccc(C(F)(F)F)n3)nn3cccc23)ccn1)C1CC1.
What is the InChIKey of N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is JFAHUOXKADNXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N7O/c22-21(23,24)16-5-1-3-14(27-16)18-29-19(15-4-2-10-31(15)30-18)26-13-8-9-25-17(11-13)28-20(32)12-6-7-12/h1-5,8-12H,6-7H2,(H2,25,26,28,29,30,32).
What are the key properties of N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]cyclopropanecarboxamide?
N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 439.40 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 126484366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).