6-[5-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1,5-dihydropyrazol-2-yl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

C22H30F3N5O2 — CID 138723565

IUPAC6-[5-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1,5-dihydropyrazol-2-yl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CN(c2nc(N3C=CC(OCCC4(C(F)(F)F)CC4)N3)ccc2C(N)=O)C(C)(C)C1
InChIInChI=1S/C22H30F3N5O2/c1-14-12-20(2,3)29(13-14)19-15(18(26)31)4-5-16(27-19)30-10-6-17(28-30)32-11-9-21(7-8-21)22(23,24)25/h4-6,10,14,17,28H,7-9,11-13H2,1-3H3,(H2,26,31)
InChIKeyDJJLTIGRLWOLOP-UHFFFAOYSA-N
MW453.51 g/mol
LogP3.72
Rot. Bonds7

About 6-[5-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1,5-dihydropyrazol-2-yl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

6-[5-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1,5-dihydropyrazol-2-yl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 138723565) has the molecular formula C22H30F3N5O2 and a molecular weight of 453.51 g/mol. Its IUPAC name is 6-[5-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1,5-dihydropyrazol-2-yl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[5-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1,5-dihydropyrazol-2-yl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
PubChem CID138723565
Molecular FormulaC22H30F3N5O2
Molecular Weight453.51 g/mol
Exact Mass453.24
IUPAC Name6-[5-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1,5-dihydropyrazol-2-yl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CN(c2nc(N3C=CC(OCCC4(C(F)(F)F)CC4)N3)ccc2C(N)=O)C(C)(C)C1
InChIInChI=1S/C22H30F3N5O2/c1-14-12-20(2,3)29(13-14)19-15(18(26)31)4-5-16(27-19)30-10-6-17(28-30)32-11-9-21(7-8-21)22(23,24)25/h4-6,10,14,17,28H,7-9,11-13H2,1-3H3,(H2,26,31)
InChIKeyDJJLTIGRLWOLOP-UHFFFAOYSA-N
XLogP3.72
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.51
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[5-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1,5-dihydropyrazol-2-yl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of 6-[5-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1,5-dihydropyrazol-2-yl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 138723565) is 6-[5-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1,5-dihydropyrazol-2-yl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[5-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1,5-dihydropyrazol-2-yl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-[5-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1,5-dihydropyrazol-2-yl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CC1CN(c2nc(N3C=CC(OCCC4(C(F)(F)F)CC4)N3)ccc2C(N)=O)C(C)(C)C1.
What is the InChIKey of 6-[5-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1,5-dihydropyrazol-2-yl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The InChIKey is DJJLTIGRLWOLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30F3N5O2/c1-14-12-20(2,3)29(13-14)19-15(18(26)31)4-5-16(27-19)30-10-6-17(28-30)32-11-9-21(7-8-21)22(23,24)25/h4-6,10,14,17,28H,7-9,11-13H2,1-3H3,(H2,26,31).
What are the key properties of 6-[5-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1,5-dihydropyrazol-2-yl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
6-[5-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1,5-dihydropyrazol-2-yl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 453.51 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1,5-dihydropyrazol-2-yl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 138723565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).