N-(2,3-dihydro-1H-triazol-4-ylmethyl)-1-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]methanesulfonamide

C22H21N7O3S — CID 90243858

IUPACN-(2,3-dihydro-1H-triazol-4-ylmethyl)-1-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]methanesulfonamide
SMILESCn1cc(-c2cnc3ccc4ccc(CS(=O)(=O)NCC5=CNNN5)cc4c(=O)c3c2)cn1
InChIInChI=1S/C22H21N7O3S/c1-29-12-17(9-25-29)16-7-20-21(23-8-16)5-4-15-3-2-14(6-19(15)22(20)30)13-33(31,32)26-11-18-10-24-28-27-18/h2-10,12,24,26-28H,11,13H2,1H3
InChIKeyDZMORWYYXLMQCJ-UHFFFAOYSA-N
MW463.52 g/mol
LogP1.02
Rot. Bonds6

About N-(2,3-dihydro-1H-triazol-4-ylmethyl)-1-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]methanesulfonamide

N-(2,3-dihydro-1H-triazol-4-ylmethyl)-1-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]methanesulfonamide (PubChem CID 90243858) has the molecular formula C22H21N7O3S and a molecular weight of 463.52 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-triazol-4-ylmethyl)-1-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]methanesulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-triazol-4-ylmethyl)-1-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]methanesulfonamide
PubChem CID90243858
Molecular FormulaC22H21N7O3S
Molecular Weight463.52 g/mol
Exact Mass463.14
IUPAC NameN-(2,3-dihydro-1H-triazol-4-ylmethyl)-1-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]methanesulfonamide
SMILESCn1cc(-c2cnc3ccc4ccc(CS(=O)(=O)NCC5=CNNN5)cc4c(=O)c3c2)cn1
InChIInChI=1S/C22H21N7O3S/c1-29-12-17(9-25-29)16-7-20-21(23-8-16)5-4-15-3-2-14(6-19(15)22(20)30)13-33(31,32)26-11-18-10-24-28-27-18/h2-10,12,24,26-28H,11,13H2,1H3
InChIKeyDZMORWYYXLMQCJ-UHFFFAOYSA-N
XLogP1.02
TPSA130.04 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.52
LogP ≤ 51.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze N-(2,3-dihydro-1H-triazol-4-ylmethyl)-1-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]methanesulfonamide 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-(2,3-dihydro-1H-triazol-4-ylmethyl)-1-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]methanesulfonamide?
The IUPAC name of N-(2,3-dihydro-1H-triazol-4-ylmethyl)-1-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]methanesulfonamide (CID 90243858) is N-(2,3-dihydro-1H-triazol-4-ylmethyl)-1-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]methanesulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1H-triazol-4-ylmethyl)-1-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]methanesulfonamide?
The canonical SMILES for N-(2,3-dihydro-1H-triazol-4-ylmethyl)-1-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]methanesulfonamide is Cn1cc(-c2cnc3ccc4ccc(CS(=O)(=O)NCC5=CNNN5)cc4c(=O)c3c2)cn1.
What is the InChIKey of N-(2,3-dihydro-1H-triazol-4-ylmethyl)-1-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]methanesulfonamide?
The InChIKey is DZMORWYYXLMQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O3S/c1-29-12-17(9-25-29)16-7-20-21(23-8-16)5-4-15-3-2-14(6-19(15)22(20)30)13-33(31,32)26-11-18-10-24-28-27-18/h2-10,12,24,26-28H,11,13H2,1H3.
What are the key properties of N-(2,3-dihydro-1H-triazol-4-ylmethyl)-1-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]methanesulfonamide?
N-(2,3-dihydro-1H-triazol-4-ylmethyl)-1-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]methanesulfonamide has a molecular weight of 463.52 g/mol, XLogP of 1.02, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-triazol-4-ylmethyl)-1-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]methanesulfonamide is sourced from PubChem (CID 90243858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).