N,6-dimethyl-7-oxo-N-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

C22H23F3N4O2 — CID 121338423

IUPACN,6-dimethyl-7-oxo-N-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCN(C(=O)c1cn(C)c(=O)c2[nH]ccc12)C1CCN(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C22H23F3N4O2/c1-27-13-18(17-7-10-26-19(17)21(27)31)20(30)28(2)15-8-11-29(12-9-15)16-5-3-14(4-6-16)22(23,24)25/h3-7,10,13,15,26H,8-9,11-12H2,1-2H3
InChIKeyWIEFNFFEWVESPJ-UHFFFAOYSA-N
MW432.45 g/mol
LogP3.63
Rot. Bonds3

About N,6-dimethyl-7-oxo-N-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

N,6-dimethyl-7-oxo-N-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (PubChem CID 121338423) has the molecular formula C22H23F3N4O2 and a molecular weight of 432.45 g/mol. Its IUPAC name is N,6-dimethyl-7-oxo-N-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN,6-dimethyl-7-oxo-N-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
PubChem CID121338423
Molecular FormulaC22H23F3N4O2
Molecular Weight432.45 g/mol
Exact Mass432.18
IUPAC NameN,6-dimethyl-7-oxo-N-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCN(C(=O)c1cn(C)c(=O)c2[nH]ccc12)C1CCN(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C22H23F3N4O2/c1-27-13-18(17-7-10-26-19(17)21(27)31)20(30)28(2)15-8-11-29(12-9-15)16-5-3-14(4-6-16)22(23,24)25/h3-7,10,13,15,26H,8-9,11-12H2,1-2H3
InChIKeyWIEFNFFEWVESPJ-UHFFFAOYSA-N
XLogP3.63
TPSA61.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.45
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-7-oxo-N-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The IUPAC name of N,6-dimethyl-7-oxo-N-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (CID 121338423) is N,6-dimethyl-7-oxo-N-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.
What is the SMILES notation for N,6-dimethyl-7-oxo-N-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The canonical SMILES for N,6-dimethyl-7-oxo-N-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is CN(C(=O)c1cn(C)c(=O)c2[nH]ccc12)C1CCN(c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of N,6-dimethyl-7-oxo-N-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The InChIKey is WIEFNFFEWVESPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O2/c1-27-13-18(17-7-10-26-19(17)21(27)31)20(30)28(2)15-8-11-29(12-9-15)16-5-3-14(4-6-16)22(23,24)25/h3-7,10,13,15,26H,8-9,11-12H2,1-2H3.
What are the key properties of N,6-dimethyl-7-oxo-N-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
N,6-dimethyl-7-oxo-N-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide has a molecular weight of 432.45 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-7-oxo-N-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 121338423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).