6-(1-ethylpyrazol-4-yl)-N-[5-(4-hydroxy-2-methylpyrrolidin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide

C22H23F3N6O2 — CID 165129765

IUPAC6-(1-ethylpyrazol-4-yl)-N-[5-(4-hydroxy-2-methylpyrrolidin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide
SMILESCCn1cc(-c2cccc(C(=O)Nc3cc(N4CC(O)CC4C)cnc3C(F)(F)F)n2)cn1
InChIInChI=1S/C22H23F3N6O2/c1-3-30-11-14(9-27-30)17-5-4-6-18(28-17)21(33)29-19-8-15(10-26-20(19)22(23,24)25)31-12-16(32)7-13(31)2/h4-6,8-11,13,16,32H,3,7,12H2,1-2H3,(H,29,33)
InChIKeyJBDVNNVVXRHDLV-UHFFFAOYSA-N
MW460.46 g/mol
LogP3.59
Rot. Bonds5

About 6-(1-ethylpyrazol-4-yl)-N-[5-(4-hydroxy-2-methylpyrrolidin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide

6-(1-ethylpyrazol-4-yl)-N-[5-(4-hydroxy-2-methylpyrrolidin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide (PubChem CID 165129765) has the molecular formula C22H23F3N6O2 and a molecular weight of 460.46 g/mol. Its IUPAC name is 6-(1-ethylpyrazol-4-yl)-N-[5-(4-hydroxy-2-methylpyrrolidin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(1-ethylpyrazol-4-yl)-N-[5-(4-hydroxy-2-methylpyrrolidin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide
PubChem CID165129765
Molecular FormulaC22H23F3N6O2
Molecular Weight460.46 g/mol
Exact Mass460.18
IUPAC Name6-(1-ethylpyrazol-4-yl)-N-[5-(4-hydroxy-2-methylpyrrolidin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide
SMILESCCn1cc(-c2cccc(C(=O)Nc3cc(N4CC(O)CC4C)cnc3C(F)(F)F)n2)cn1
InChIInChI=1S/C22H23F3N6O2/c1-3-30-11-14(9-27-30)17-5-4-6-18(28-17)21(33)29-19-8-15(10-26-20(19)22(23,24)25)31-12-16(32)7-13(31)2/h4-6,8-11,13,16,32H,3,7,12H2,1-2H3,(H,29,33)
InChIKeyJBDVNNVVXRHDLV-UHFFFAOYSA-N
XLogP3.59
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.46
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(1-ethylpyrazol-4-yl)-N-[5-(4-hydroxy-2-methylpyrrolidin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of 6-(1-ethylpyrazol-4-yl)-N-[5-(4-hydroxy-2-methylpyrrolidin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide (CID 165129765) is 6-(1-ethylpyrazol-4-yl)-N-[5-(4-hydroxy-2-methylpyrrolidin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(1-ethylpyrazol-4-yl)-N-[5-(4-hydroxy-2-methylpyrrolidin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for 6-(1-ethylpyrazol-4-yl)-N-[5-(4-hydroxy-2-methylpyrrolidin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide is CCn1cc(-c2cccc(C(=O)Nc3cc(N4CC(O)CC4C)cnc3C(F)(F)F)n2)cn1.
What is the InChIKey of 6-(1-ethylpyrazol-4-yl)-N-[5-(4-hydroxy-2-methylpyrrolidin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide?
The InChIKey is JBDVNNVVXRHDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N6O2/c1-3-30-11-14(9-27-30)17-5-4-6-18(28-17)21(33)29-19-8-15(10-26-20(19)22(23,24)25)31-12-16(32)7-13(31)2/h4-6,8-11,13,16,32H,3,7,12H2,1-2H3,(H,29,33).
What are the key properties of 6-(1-ethylpyrazol-4-yl)-N-[5-(4-hydroxy-2-methylpyrrolidin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide?
6-(1-ethylpyrazol-4-yl)-N-[5-(4-hydroxy-2-methylpyrrolidin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide has a molecular weight of 460.46 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethylpyrazol-4-yl)-N-[5-(4-hydroxy-2-methylpyrrolidin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 165129765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).