2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-[(6-pyrrolidin-1-yl-2-pyridinyl)oxy]benzamide

C26H26FN7O2 — CID 135347751

IUPAC2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-[(6-pyrrolidin-1-yl-2-pyridinyl)oxy]benzamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)c2cc(Oc3cccc(N4CCCC4)n3)ccc2F)n1
InChIInChI=1S/C26H26FN7O2/c1-17(2)34-16-28-32-25(34)21-7-5-8-22(29-21)30-26(35)19-15-18(11-12-20(19)27)36-24-10-6-9-23(31-24)33-13-3-4-14-33/h5-12,15-17H,3-4,13-14H2,1-2H3,(H,29,30,35)
InChIKeyJRTBTVKLKQTREW-UHFFFAOYSA-N
MW487.54 g/mol
LogP5.10
Rot. Bonds7

About 2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-[(6-pyrrolidin-1-yl-2-pyridinyl)oxy]benzamide

2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-[(6-pyrrolidin-1-yl-2-pyridinyl)oxy]benzamide (PubChem CID 135347751) has the molecular formula C26H26FN7O2 and a molecular weight of 487.54 g/mol. Its IUPAC name is 2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-[(6-pyrrolidin-1-yl-2-pyridinyl)oxy]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-[(6-pyrrolidin-1-yl-2-pyridinyl)oxy]benzamide
PubChem CID135347751
Molecular FormulaC26H26FN7O2
Molecular Weight487.54 g/mol
Exact Mass487.21
IUPAC Name2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-[(6-pyrrolidin-1-yl-2-pyridinyl)oxy]benzamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)c2cc(Oc3cccc(N4CCCC4)n3)ccc2F)n1
InChIInChI=1S/C26H26FN7O2/c1-17(2)34-16-28-32-25(34)21-7-5-8-22(29-21)30-26(35)19-15-18(11-12-20(19)27)36-24-10-6-9-23(31-24)33-13-3-4-14-33/h5-12,15-17H,3-4,13-14H2,1-2H3,(H,29,30,35)
InChIKeyJRTBTVKLKQTREW-UHFFFAOYSA-N
XLogP5.10
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.54
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-[(6-pyrrolidin-1-yl-2-pyridinyl)oxy]benzamide with MolForge

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Launch Full Analysis

Related Compounds

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6-{[(2s)-4-Methylmorpholin-2-Yl]methoxy}-2-{6-[4-(Propan-2-Yl)-4h-1,2,4-Triazol-3-Yl]pyridin-2-Yl}-2,3-Dihydro-1h-Isoindol-1-One
CID 127053598
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CID 127053601
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CID 166627467
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CID 166634204
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15-(4-Methylimidazol-1-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one
CID 138458386

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-[(6-pyrrolidin-1-yl-2-pyridinyl)oxy]benzamide?
The IUPAC name of 2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-[(6-pyrrolidin-1-yl-2-pyridinyl)oxy]benzamide (CID 135347751) is 2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-[(6-pyrrolidin-1-yl-2-pyridinyl)oxy]benzamide.
What is the SMILES notation for 2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-[(6-pyrrolidin-1-yl-2-pyridinyl)oxy]benzamide?
The canonical SMILES for 2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-[(6-pyrrolidin-1-yl-2-pyridinyl)oxy]benzamide is CC(C)n1cnnc1-c1cccc(NC(=O)c2cc(Oc3cccc(N4CCCC4)n3)ccc2F)n1.
What is the InChIKey of 2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-[(6-pyrrolidin-1-yl-2-pyridinyl)oxy]benzamide?
The InChIKey is JRTBTVKLKQTREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN7O2/c1-17(2)34-16-28-32-25(34)21-7-5-8-22(29-21)30-26(35)19-15-18(11-12-20(19)27)36-24-10-6-9-23(31-24)33-13-3-4-14-33/h5-12,15-17H,3-4,13-14H2,1-2H3,(H,29,30,35).
What are the key properties of 2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-[(6-pyrrolidin-1-yl-2-pyridinyl)oxy]benzamide?
2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-[(6-pyrrolidin-1-yl-2-pyridinyl)oxy]benzamide has a molecular weight of 487.54 g/mol, XLogP of 5.10, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-[(6-pyrrolidin-1-yl-2-pyridinyl)oxy]benzamide is sourced from PubChem (CID 135347751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).