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

C23H23F2N7O2 — CID 126484291

IUPAC4-[[2-[6-(difluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(3-hydroxy-3-methylbutyl)pyridine-3-carboxamide
SMILESCC(C)(O)CCNC(=O)c1cnccc1Nc1nc(-c2cccc(C(F)F)n2)nn2cccc12
InChIInChI=1S/C23H23F2N7O2/c1-23(2,34)9-11-27-22(33)14-13-26-10-8-15(14)29-21-18-7-4-12-32(18)31-20(30-21)17-6-3-5-16(28-17)19(24)25/h3-8,10,12-13,19,34H,9,11H2,1-2H3,(H,27,33)(H,26,29,30,31)
InChIKeyIAILIDFMLJSMPN-UHFFFAOYSA-N
MW467.48 g/mol
LogP3.76
Rot. Bonds8

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

4-[[2-[6-(difluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(3-hydroxy-3-methylbutyl)pyridine-3-carboxamide (PubChem CID 126484291) has the molecular formula C23H23F2N7O2 and a molecular weight of 467.48 g/mol. Its IUPAC name is 4-[[2-[6-(difluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(3-hydroxy-3-methylbutyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[2-[6-(difluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(3-hydroxy-3-methylbutyl)pyridine-3-carboxamide
PubChem CID126484291
Molecular FormulaC23H23F2N7O2
Molecular Weight467.48 g/mol
Exact Mass467.19
IUPAC Name4-[[2-[6-(difluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(3-hydroxy-3-methylbutyl)pyridine-3-carboxamide
SMILESCC(C)(O)CCNC(=O)c1cnccc1Nc1nc(-c2cccc(C(F)F)n2)nn2cccc12
InChIInChI=1S/C23H23F2N7O2/c1-23(2,34)9-11-27-22(33)14-13-26-10-8-15(14)29-21-18-7-4-12-32(18)31-20(30-21)17-6-3-5-16(28-17)19(24)25/h3-8,10,12-13,19,34H,9,11H2,1-2H3,(H,27,33)(H,26,29,30,31)
InChIKeyIAILIDFMLJSMPN-UHFFFAOYSA-N
XLogP3.76
TPSA117.33 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.48
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-[[2-[6-(difluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(3-hydroxy-3-methylbutyl)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-(3-hydroxy-3-methylbutyl)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-(3-hydroxy-3-methylbutyl)pyridine-3-carboxamide (CID 126484291) is 4-[[2-[6-(difluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(3-hydroxy-3-methylbutyl)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-(3-hydroxy-3-methylbutyl)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-(3-hydroxy-3-methylbutyl)pyridine-3-carboxamide is CC(C)(O)CCNC(=O)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-(3-hydroxy-3-methylbutyl)pyridine-3-carboxamide?
The InChIKey is IAILIDFMLJSMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N7O2/c1-23(2,34)9-11-27-22(33)14-13-26-10-8-15(14)29-21-18-7-4-12-32(18)31-20(30-21)17-6-3-5-16(28-17)19(24)25/h3-8,10,12-13,19,34H,9,11H2,1-2H3,(H,27,33)(H,26,29,30,31).
What are the key properties of 4-[[2-[6-(difluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(3-hydroxy-3-methylbutyl)pyridine-3-carboxamide?
4-[[2-[6-(difluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(3-hydroxy-3-methylbutyl)pyridine-3-carboxamide has a molecular weight of 467.48 g/mol, XLogP of 3.76, 8 rotatable bonds, 3 hydrogen bond donors, and 8 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-(3-hydroxy-3-methylbutyl)pyridine-3-carboxamide is sourced from PubChem (CID 126484291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).