N,N-dimethyl-1-(3-methyl-2-phenylpyrazolo[4,3-c]pyridin-6-yl)azetidine-3-sulfonamide

C18H21N5O2S — CID 170319361

IUPACN,N-dimethyl-1-(3-methyl-2-phenylpyrazolo[4,3-c]pyridin-6-yl)azetidine-3-sulfonamide
SMILESCc1c2cnc(N3CC(S(=O)(=O)N(C)C)C3)cc2nn1-c1ccccc1
InChIInChI=1S/C18H21N5O2S/c1-13-16-10-19-18(22-11-15(12-22)26(24,25)21(2)3)9-17(16)20-23(13)14-7-5-4-6-8-14/h4-10,15H,11-12H2,1-3H3
InChIKeyMHHQLLIAECMERP-UHFFFAOYSA-N
MW371.47 g/mol
LogP1.81
Rot. Bonds4

About N,N-dimethyl-1-(3-methyl-2-phenylpyrazolo[4,3-c]pyridin-6-yl)azetidine-3-sulfonamide

N,N-dimethyl-1-(3-methyl-2-phenylpyrazolo[4,3-c]pyridin-6-yl)azetidine-3-sulfonamide (PubChem CID 170319361) has the molecular formula C18H21N5O2S and a molecular weight of 371.47 g/mol. Its IUPAC name is N,N-dimethyl-1-(3-methyl-2-phenylpyrazolo[4,3-c]pyridin-6-yl)azetidine-3-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-1-(3-methyl-2-phenylpyrazolo[4,3-c]pyridin-6-yl)azetidine-3-sulfonamide
PubChem CID170319361
Molecular FormulaC18H21N5O2S
Molecular Weight371.47 g/mol
Exact Mass371.14
IUPAC NameN,N-dimethyl-1-(3-methyl-2-phenylpyrazolo[4,3-c]pyridin-6-yl)azetidine-3-sulfonamide
SMILESCc1c2cnc(N3CC(S(=O)(=O)N(C)C)C3)cc2nn1-c1ccccc1
InChIInChI=1S/C18H21N5O2S/c1-13-16-10-19-18(22-11-15(12-22)26(24,25)21(2)3)9-17(16)20-23(13)14-7-5-4-6-8-14/h4-10,15H,11-12H2,1-3H3
InChIKeyMHHQLLIAECMERP-UHFFFAOYSA-N
XLogP1.81
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(3-methyl-2-phenylpyrazolo[4,3-c]pyridin-6-yl)azetidine-3-sulfonamide?
The IUPAC name of N,N-dimethyl-1-(3-methyl-2-phenylpyrazolo[4,3-c]pyridin-6-yl)azetidine-3-sulfonamide (CID 170319361) is N,N-dimethyl-1-(3-methyl-2-phenylpyrazolo[4,3-c]pyridin-6-yl)azetidine-3-sulfonamide.
What is the SMILES notation for N,N-dimethyl-1-(3-methyl-2-phenylpyrazolo[4,3-c]pyridin-6-yl)azetidine-3-sulfonamide?
The canonical SMILES for N,N-dimethyl-1-(3-methyl-2-phenylpyrazolo[4,3-c]pyridin-6-yl)azetidine-3-sulfonamide is Cc1c2cnc(N3CC(S(=O)(=O)N(C)C)C3)cc2nn1-c1ccccc1.
What is the InChIKey of N,N-dimethyl-1-(3-methyl-2-phenylpyrazolo[4,3-c]pyridin-6-yl)azetidine-3-sulfonamide?
The InChIKey is MHHQLLIAECMERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2S/c1-13-16-10-19-18(22-11-15(12-22)26(24,25)21(2)3)9-17(16)20-23(13)14-7-5-4-6-8-14/h4-10,15H,11-12H2,1-3H3.
What are the key properties of N,N-dimethyl-1-(3-methyl-2-phenylpyrazolo[4,3-c]pyridin-6-yl)azetidine-3-sulfonamide?
N,N-dimethyl-1-(3-methyl-2-phenylpyrazolo[4,3-c]pyridin-6-yl)azetidine-3-sulfonamide has a molecular weight of 371.47 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(3-methyl-2-phenylpyrazolo[4,3-c]pyridin-6-yl)azetidine-3-sulfonamide is sourced from PubChem (CID 170319361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).