N-piperidin-4-yl-5-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridine-2-sulfonamide

C18H18F3N5O2S — CID 59406229

IUPACN-piperidin-4-yl-5-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridine-2-sulfonamide
SMILESO=S(=O)(NC1CCNCC1)c1ccc(-c2ccnc3[nH]c(C(F)(F)F)cc23)cn1
InChIInChI=1S/C18H18F3N5O2S/c19-18(20,21)15-9-14-13(5-8-23-17(14)25-15)11-1-2-16(24-10-11)29(27,28)26-12-3-6-22-7-4-12/h1-2,5,8-10,12,22,26H,3-4,6-7H2,(H,23,25)
InChIKeyNKPBRBRCUZKRDX-UHFFFAOYSA-N
MW425.44 g/mol
LogP2.67
Rot. Bonds4

About N-piperidin-4-yl-5-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridine-2-sulfonamide

N-piperidin-4-yl-5-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridine-2-sulfonamide (PubChem CID 59406229) has the molecular formula C18H18F3N5O2S and a molecular weight of 425.44 g/mol. Its IUPAC name is N-piperidin-4-yl-5-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-piperidin-4-yl-5-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridine-2-sulfonamide
PubChem CID59406229
Molecular FormulaC18H18F3N5O2S
Molecular Weight425.44 g/mol
Exact Mass425.11
IUPAC NameN-piperidin-4-yl-5-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridine-2-sulfonamide
SMILESO=S(=O)(NC1CCNCC1)c1ccc(-c2ccnc3[nH]c(C(F)(F)F)cc23)cn1
InChIInChI=1S/C18H18F3N5O2S/c19-18(20,21)15-9-14-13(5-8-23-17(14)25-15)11-1-2-16(24-10-11)29(27,28)26-12-3-6-22-7-4-12/h1-2,5,8-10,12,22,26H,3-4,6-7H2,(H,23,25)
InChIKeyNKPBRBRCUZKRDX-UHFFFAOYSA-N
XLogP2.67
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-piperidin-4-yl-5-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridine-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-5-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridine-2-sulfonamide?
The IUPAC name of N-piperidin-4-yl-5-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridine-2-sulfonamide (CID 59406229) is N-piperidin-4-yl-5-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridine-2-sulfonamide.
What is the SMILES notation for N-piperidin-4-yl-5-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridine-2-sulfonamide?
The canonical SMILES for N-piperidin-4-yl-5-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridine-2-sulfonamide is O=S(=O)(NC1CCNCC1)c1ccc(-c2ccnc3[nH]c(C(F)(F)F)cc23)cn1.
What is the InChIKey of N-piperidin-4-yl-5-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridine-2-sulfonamide?
The InChIKey is NKPBRBRCUZKRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5O2S/c19-18(20,21)15-9-14-13(5-8-23-17(14)25-15)11-1-2-16(24-10-11)29(27,28)26-12-3-6-22-7-4-12/h1-2,5,8-10,12,22,26H,3-4,6-7H2,(H,23,25).
What are the key properties of N-piperidin-4-yl-5-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridine-2-sulfonamide?
N-piperidin-4-yl-5-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridine-2-sulfonamide has a molecular weight of 425.44 g/mol, XLogP of 2.67, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-5-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridine-2-sulfonamide is sourced from PubChem (CID 59406229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).