4-[[2-[6-(difluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(1,3-oxazol-4-ylmethyl)pyridine-3-carboxamide

C22H16F2N8O2 — CID 135262318

IUPAC4-[[2-[6-(difluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(1,3-oxazol-4-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1cocn1)c1cnccc1Nc1nc(-c2cccc(C(F)F)n2)nn2cccc12
InChIInChI=1S/C22H16F2N8O2/c23-19(24)16-3-1-4-17(28-16)20-30-21(18-5-2-8-32(18)31-20)29-15-6-7-25-10-14(15)22(33)26-9-13-11-34-12-27-13/h1-8,10-12,19H,9H2,(H,26,33)(H,25,29,30,31)
InChIKeyLMVFSIOXYQMPKC-UHFFFAOYSA-N
MW462.42 g/mol
LogP3.79
Rot. Bonds7

About 4-[[2-[6-(difluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(1,3-oxazol-4-ylmethyl)pyridine-3-carboxamide

4-[[2-[6-(difluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(1,3-oxazol-4-ylmethyl)pyridine-3-carboxamide (PubChem CID 135262318) has the molecular formula C22H16F2N8O2 and a molecular weight of 462.42 g/mol. Its IUPAC name is 4-[[2-[6-(difluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(1,3-oxazol-4-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[2-[6-(difluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(1,3-oxazol-4-ylmethyl)pyridine-3-carboxamide
PubChem CID135262318
Molecular FormulaC22H16F2N8O2
Molecular Weight462.42 g/mol
Exact Mass462.14
IUPAC Name4-[[2-[6-(difluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(1,3-oxazol-4-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1cocn1)c1cnccc1Nc1nc(-c2cccc(C(F)F)n2)nn2cccc12
InChIInChI=1S/C22H16F2N8O2/c23-19(24)16-3-1-4-17(28-16)20-30-21(18-5-2-8-32(18)31-20)29-15-6-7-25-10-14(15)22(33)26-9-13-11-34-12-27-13/h1-8,10-12,19H,9H2,(H,26,33)(H,25,29,30,31)
InChIKeyLMVFSIOXYQMPKC-UHFFFAOYSA-N
XLogP3.79
TPSA123.13 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.42
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-[[2-[6-(difluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(1,3-oxazol-4-ylmethyl)pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[6-(difluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(1,3-oxazol-4-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 4-[[2-[6-(difluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(1,3-oxazol-4-ylmethyl)pyridine-3-carboxamide (CID 135262318) is 4-[[2-[6-(difluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(1,3-oxazol-4-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-[[2-[6-(difluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(1,3-oxazol-4-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 4-[[2-[6-(difluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(1,3-oxazol-4-ylmethyl)pyridine-3-carboxamide is O=C(NCc1cocn1)c1cnccc1Nc1nc(-c2cccc(C(F)F)n2)nn2cccc12.
What is the InChIKey of 4-[[2-[6-(difluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(1,3-oxazol-4-ylmethyl)pyridine-3-carboxamide?
The InChIKey is LMVFSIOXYQMPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N8O2/c23-19(24)16-3-1-4-17(28-16)20-30-21(18-5-2-8-32(18)31-20)29-15-6-7-25-10-14(15)22(33)26-9-13-11-34-12-27-13/h1-8,10-12,19H,9H2,(H,26,33)(H,25,29,30,31).
What are the key properties of 4-[[2-[6-(difluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(1,3-oxazol-4-ylmethyl)pyridine-3-carboxamide?
4-[[2-[6-(difluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(1,3-oxazol-4-ylmethyl)pyridine-3-carboxamide has a molecular weight of 462.42 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[6-(difluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(1,3-oxazol-4-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 135262318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).