[[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]amino]-(3-fluoro-4-pyridinyl)methanol

C18H15F4N5O — CID 130411647

IUPAC[[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]amino]-(3-fluoro-4-pyridinyl)methanol
SMILESOC(Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)nc1)c1ccncc1F
InChIInChI=1S/C18H15F4N5O/c19-13-9-23-6-5-12(13)17(28)25-11-3-4-16(24-8-11)27-14(10-1-2-10)7-15(26-27)18(20,21)22/h3-10,17,25,28H,1-2H2
InChIKeyXYMQBRXRHQHKHV-UHFFFAOYSA-N
MW393.34 g/mol
LogP3.80
Rot. Bonds5

About [[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]amino]-(3-fluoro-4-pyridinyl)methanol

[[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]amino]-(3-fluoro-4-pyridinyl)methanol (PubChem CID 130411647) has the molecular formula C18H15F4N5O and a molecular weight of 393.34 g/mol. Its IUPAC name is [[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]amino]-(3-fluoro-4-pyridinyl)methanol.

Molecular Properties

Compound Name[[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]amino]-(3-fluoro-4-pyridinyl)methanol
PubChem CID130411647
Molecular FormulaC18H15F4N5O
Molecular Weight393.34 g/mol
Exact Mass393.12
IUPAC Name[[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]amino]-(3-fluoro-4-pyridinyl)methanol
SMILESOC(Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)nc1)c1ccncc1F
InChIInChI=1S/C18H15F4N5O/c19-13-9-23-6-5-12(13)17(28)25-11-3-4-16(24-8-11)27-14(10-1-2-10)7-15(26-27)18(20,21)22/h3-10,17,25,28H,1-2H2
InChIKeyXYMQBRXRHQHKHV-UHFFFAOYSA-N
XLogP3.80
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.34
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]amino]-(3-fluoro-4-pyridinyl)methanol?
The IUPAC name of [[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]amino]-(3-fluoro-4-pyridinyl)methanol (CID 130411647) is [[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]amino]-(3-fluoro-4-pyridinyl)methanol.
What is the SMILES notation for [[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]amino]-(3-fluoro-4-pyridinyl)methanol?
The canonical SMILES for [[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]amino]-(3-fluoro-4-pyridinyl)methanol is OC(Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)nc1)c1ccncc1F.
What is the InChIKey of [[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]amino]-(3-fluoro-4-pyridinyl)methanol?
The InChIKey is XYMQBRXRHQHKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F4N5O/c19-13-9-23-6-5-12(13)17(28)25-11-3-4-16(24-8-11)27-14(10-1-2-10)7-15(26-27)18(20,21)22/h3-10,17,25,28H,1-2H2.
What are the key properties of [[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]amino]-(3-fluoro-4-pyridinyl)methanol?
[[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]amino]-(3-fluoro-4-pyridinyl)methanol has a molecular weight of 393.34 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]amino]-(3-fluoro-4-pyridinyl)methanol is sourced from PubChem (CID 130411647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).