N-[2-[3-methyl-4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethyl)pyrazol-1-yl]-3-pyridinyl]methanesulfonamide

C23H27N5O3S — CID 44561495

IUPACN-[2-[3-methyl-4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethyl)pyrazol-1-yl]-3-pyridinyl]methanesulfonamide
SMILESCc1nn(-c2ncccc2NS(C)(=O)=O)cc1CN1CCC2(CC1)OCc1ccccc12
InChIInChI=1S/C23H27N5O3S/c1-17-19(15-28(25-17)22-21(8-5-11-24-22)26-32(2,29)30)14-27-12-9-23(10-13-27)20-7-4-3-6-18(20)16-31-23/h3-8,11,15,26H,9-10,12-14,16H2,1-2H3
InChIKeyBFKKMWFRIGZMNC-UHFFFAOYSA-N
MW453.57 g/mol
LogP2.97
Rot. Bonds5

About N-[2-[3-methyl-4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethyl)pyrazol-1-yl]-3-pyridinyl]methanesulfonamide

N-[2-[3-methyl-4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethyl)pyrazol-1-yl]-3-pyridinyl]methanesulfonamide (PubChem CID 44561495) has the molecular formula C23H27N5O3S and a molecular weight of 453.57 g/mol. Its IUPAC name is N-[2-[3-methyl-4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethyl)pyrazol-1-yl]-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[3-methyl-4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethyl)pyrazol-1-yl]-3-pyridinyl]methanesulfonamide
PubChem CID44561495
Molecular FormulaC23H27N5O3S
Molecular Weight453.57 g/mol
Exact Mass453.18
IUPAC NameN-[2-[3-methyl-4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethyl)pyrazol-1-yl]-3-pyridinyl]methanesulfonamide
SMILESCc1nn(-c2ncccc2NS(C)(=O)=O)cc1CN1CCC2(CC1)OCc1ccccc12
InChIInChI=1S/C23H27N5O3S/c1-17-19(15-28(25-17)22-21(8-5-11-24-22)26-32(2,29)30)14-27-12-9-23(10-13-27)20-7-4-3-6-18(20)16-31-23/h3-8,11,15,26H,9-10,12-14,16H2,1-2H3
InChIKeyBFKKMWFRIGZMNC-UHFFFAOYSA-N
XLogP2.97
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.57
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-[3-methyl-4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethyl)pyrazol-1-yl]-3-pyridinyl]methanesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

1'-[(3-methyl-1-pyridin-2-ylpyrazol-4-yl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 44561400
1'-[(3-methyl-1-pyridin-3-ylpyrazol-4-yl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 44561401
1'-[(3-methyl-1-pyrazin-2-ylpyrazol-4-yl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 44561403
1'-[(3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 44561450
1'-[[1-(6-chloro-2-pyridinyl)-3-methylpyrazol-4-yl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 44561451
1'-[[1-(5-chloro-2-pyridinyl)-3-methylpyrazol-4-yl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 44561452
1'-[[3-methyl-1-(4-methyl-2-pyridinyl)pyrazol-4-yl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 44561453
1'-[[1-(3-chloro-2-pyridinyl)-3-methylpyrazol-4-yl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 44561454
1'-[[3-methyl-1-(3-methyl-2-pyridinyl)pyrazol-4-yl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 44561493
N-[2-[3-methyl-4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethyl)pyrazol-1-yl]-3-pyridinyl]acetamide
CID 44561494
8-[4-(2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethyl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 155530704
N-[5-[(6S)-6-methyl-1-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]-2-pyridinyl]methanesulfonamide
CID 142592477

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-methyl-4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethyl)pyrazol-1-yl]-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[2-[3-methyl-4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethyl)pyrazol-1-yl]-3-pyridinyl]methanesulfonamide (CID 44561495) is N-[2-[3-methyl-4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethyl)pyrazol-1-yl]-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[2-[3-methyl-4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethyl)pyrazol-1-yl]-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[2-[3-methyl-4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethyl)pyrazol-1-yl]-3-pyridinyl]methanesulfonamide is Cc1nn(-c2ncccc2NS(C)(=O)=O)cc1CN1CCC2(CC1)OCc1ccccc12.
What is the InChIKey of N-[2-[3-methyl-4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethyl)pyrazol-1-yl]-3-pyridinyl]methanesulfonamide?
The InChIKey is BFKKMWFRIGZMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3S/c1-17-19(15-28(25-17)22-21(8-5-11-24-22)26-32(2,29)30)14-27-12-9-23(10-13-27)20-7-4-3-6-18(20)16-31-23/h3-8,11,15,26H,9-10,12-14,16H2,1-2H3.
What are the key properties of N-[2-[3-methyl-4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethyl)pyrazol-1-yl]-3-pyridinyl]methanesulfonamide?
N-[2-[3-methyl-4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethyl)pyrazol-1-yl]-3-pyridinyl]methanesulfonamide has a molecular weight of 453.57 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-methyl-4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethyl)pyrazol-1-yl]-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 44561495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).