[2-[[2-[[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]-4-pyridinyl]oxy]-6-(trifluoromethyl)-4-pyridinyl]methylcarbamic acid

C24H19F3N8O4 — CID 135348330

IUPAC[2-[[2-[[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]-4-pyridinyl]oxy]-6-(trifluoromethyl)-4-pyridinyl]methylcarbamic acid
SMILESO=C(O)NCc1cc(Oc2ccnc(C(=O)Nc3cccc(-c4nncn4C4CC4)n3)c2)nc(C(F)(F)F)c1
InChIInChI=1S/C24H19F3N8O4/c25-24(26,27)18-8-13(11-29-23(37)38)9-20(32-18)39-15-6-7-28-17(10-15)22(36)33-19-3-1-2-16(31-19)21-34-30-12-35(21)14-4-5-14/h1-3,6-10,12,14,29H,4-5,11H2,(H,37,38)(H,31,33,36)
InChIKeyFOEXFHKHHNHHKL-UHFFFAOYSA-N
MW540.46 g/mol
LogP4.30
Rot. Bonds8

About [2-[[2-[[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]-4-pyridinyl]oxy]-6-(trifluoromethyl)-4-pyridinyl]methylcarbamic acid

[2-[[2-[[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]-4-pyridinyl]oxy]-6-(trifluoromethyl)-4-pyridinyl]methylcarbamic acid (PubChem CID 135348330) has the molecular formula C24H19F3N8O4 and a molecular weight of 540.46 g/mol. Its IUPAC name is [2-[[2-[[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]-4-pyridinyl]oxy]-6-(trifluoromethyl)-4-pyridinyl]methylcarbamic acid.

Molecular Properties

Compound Name[2-[[2-[[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]-4-pyridinyl]oxy]-6-(trifluoromethyl)-4-pyridinyl]methylcarbamic acid
PubChem CID135348330
Molecular FormulaC24H19F3N8O4
Molecular Weight540.46 g/mol
Exact Mass540.15
IUPAC Name[2-[[2-[[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]-4-pyridinyl]oxy]-6-(trifluoromethyl)-4-pyridinyl]methylcarbamic acid
SMILESO=C(O)NCc1cc(Oc2ccnc(C(=O)Nc3cccc(-c4nncn4C4CC4)n3)c2)nc(C(F)(F)F)c1
InChIInChI=1S/C24H19F3N8O4/c25-24(26,27)18-8-13(11-29-23(37)38)9-20(32-18)39-15-6-7-28-17(10-15)22(36)33-19-3-1-2-16(31-19)21-34-30-12-35(21)14-4-5-14/h1-3,6-10,12,14,29H,4-5,11H2,(H,37,38)(H,31,33,36)
InChIKeyFOEXFHKHHNHHKL-UHFFFAOYSA-N
XLogP4.30
TPSA157.04 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.46
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [2-[[2-[[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]-4-pyridinyl]oxy]-6-(trifluoromethyl)-4-pyridinyl]methylcarbamic acid?
The IUPAC name of [2-[[2-[[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]-4-pyridinyl]oxy]-6-(trifluoromethyl)-4-pyridinyl]methylcarbamic acid (CID 135348330) is [2-[[2-[[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]-4-pyridinyl]oxy]-6-(trifluoromethyl)-4-pyridinyl]methylcarbamic acid.
What is the SMILES notation for [2-[[2-[[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]-4-pyridinyl]oxy]-6-(trifluoromethyl)-4-pyridinyl]methylcarbamic acid?
The canonical SMILES for [2-[[2-[[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]-4-pyridinyl]oxy]-6-(trifluoromethyl)-4-pyridinyl]methylcarbamic acid is O=C(O)NCc1cc(Oc2ccnc(C(=O)Nc3cccc(-c4nncn4C4CC4)n3)c2)nc(C(F)(F)F)c1.
What is the InChIKey of [2-[[2-[[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]-4-pyridinyl]oxy]-6-(trifluoromethyl)-4-pyridinyl]methylcarbamic acid?
The InChIKey is FOEXFHKHHNHHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N8O4/c25-24(26,27)18-8-13(11-29-23(37)38)9-20(32-18)39-15-6-7-28-17(10-15)22(36)33-19-3-1-2-16(31-19)21-34-30-12-35(21)14-4-5-14/h1-3,6-10,12,14,29H,4-5,11H2,(H,37,38)(H,31,33,36).
What are the key properties of [2-[[2-[[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]-4-pyridinyl]oxy]-6-(trifluoromethyl)-4-pyridinyl]methylcarbamic acid?
[2-[[2-[[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]-4-pyridinyl]oxy]-6-(trifluoromethyl)-4-pyridinyl]methylcarbamic acid has a molecular weight of 540.46 g/mol, XLogP of 4.30, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-[[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]-4-pyridinyl]oxy]-6-(trifluoromethyl)-4-pyridinyl]methylcarbamic acid is sourced from PubChem (CID 135348330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).