N-(2-cyclopropylethyl)-3-methyl-1-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide

C26H31F3N4O2 — CID 91446317

IUPACN-(2-cyclopropylethyl)-3-methyl-1-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESCC1(C(=O)NCCC2CC2)Cn2cccc2C(N2CCC(Oc3ccccc3C(F)(F)F)CC2)=N1
InChIInChI=1S/C26H31F3N4O2/c1-25(24(34)30-13-10-18-8-9-18)17-33-14-4-6-21(33)23(31-25)32-15-11-19(12-16-32)35-22-7-3-2-5-20(22)26(27,28)29/h2-7,14,18-19H,8-13,15-17H2,1H3,(H,30,34)
InChIKeyNHCWCOIBNARBPI-UHFFFAOYSA-N
MW488.55 g/mol
LogP4.49
Rot. Bonds6

About N-(2-cyclopropylethyl)-3-methyl-1-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide

N-(2-cyclopropylethyl)-3-methyl-1-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (PubChem CID 91446317) has the molecular formula C26H31F3N4O2 and a molecular weight of 488.55 g/mol. Its IUPAC name is N-(2-cyclopropylethyl)-3-methyl-1-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropylethyl)-3-methyl-1-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
PubChem CID91446317
Molecular FormulaC26H31F3N4O2
Molecular Weight488.55 g/mol
Exact Mass488.24
IUPAC NameN-(2-cyclopropylethyl)-3-methyl-1-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESCC1(C(=O)NCCC2CC2)Cn2cccc2C(N2CCC(Oc3ccccc3C(F)(F)F)CC2)=N1
InChIInChI=1S/C26H31F3N4O2/c1-25(24(34)30-13-10-18-8-9-18)17-33-14-4-6-21(33)23(31-25)32-15-11-19(12-16-32)35-22-7-3-2-5-20(22)26(27,28)29/h2-7,14,18-19H,8-13,15-17H2,1H3,(H,30,34)
InChIKeyNHCWCOIBNARBPI-UHFFFAOYSA-N
XLogP4.49
TPSA58.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.55
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-(3-methylbutyl)-1-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-2,4-dihydropyrido[1,2-a]pyrazine-3-carboxamide
CID 143334655
(3S)-3-[2-(trifluoromethyl)phenoxy]pyrrolidine-1-carboxylic acid
CID 68978029
5-methyl-2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-6,7a-dihydro-3aH-[1,3]thiazolo[4,5-d]pyrimidin-7-one
CID 164906021
2-[3-[2-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]-1,3-thiazole
CID 91253125
5-cyclopropyl-1-[[pyridin-2-yl-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]methylidene]amino]pentan-2-one
CID 159298658
2-[3-[2-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]acetaldehyde
CID 90911845
(2R)-2,5-diamino-5-oxo-2-[6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazine-3-carbonyl]pentanoic acid
CID 151166475
5-(1H-pyrazol-4-yl)-2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyrimidine
CID 141215372
1-(5-bromo-2-pyridinyl)piperidin-4-ol;5-bromo-2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridine;1-fluoro-2-(trifluoromethyl)benzene
CID 158018417
5-methyl-2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
CID 135771804
ethane;2-[2-(trifluoromethyl)phenoxy]cyclobutan-1-one
CID 144591582
methyl 6-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyridine-2-carboxylate
CID 170364130

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylethyl)-3-methyl-1-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The IUPAC name of N-(2-cyclopropylethyl)-3-methyl-1-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (CID 91446317) is N-(2-cyclopropylethyl)-3-methyl-1-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.
What is the SMILES notation for N-(2-cyclopropylethyl)-3-methyl-1-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The canonical SMILES for N-(2-cyclopropylethyl)-3-methyl-1-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is CC1(C(=O)NCCC2CC2)Cn2cccc2C(N2CCC(Oc3ccccc3C(F)(F)F)CC2)=N1.
What is the InChIKey of N-(2-cyclopropylethyl)-3-methyl-1-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The InChIKey is NHCWCOIBNARBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31F3N4O2/c1-25(24(34)30-13-10-18-8-9-18)17-33-14-4-6-21(33)23(31-25)32-15-11-19(12-16-32)35-22-7-3-2-5-20(22)26(27,28)29/h2-7,14,18-19H,8-13,15-17H2,1H3,(H,30,34).
What are the key properties of N-(2-cyclopropylethyl)-3-methyl-1-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
N-(2-cyclopropylethyl)-3-methyl-1-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 488.55 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylethyl)-3-methyl-1-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 91446317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).