N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[d]pyrimidin-4-yl]phenyl]-1-methylpyrazole-4-sulfonamide

C22H21N5O3S — CID 160510211

IUPACN-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[d]pyrimidin-4-yl]phenyl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2ccc(-c3nc(CC(=O)C4CC4)nc4c3C=CC4)cc2)cn1
InChIInChI=1S/C22H21N5O3S/c1-27-13-17(12-23-27)31(29,30)26-16-9-7-15(8-10-16)22-18-3-2-4-19(18)24-21(25-22)11-20(28)14-5-6-14/h2-3,7-10,12-14,26H,4-6,11H2,1H3
InChIKeyQSYIGJGMFNIEFS-UHFFFAOYSA-N
MW435.51 g/mol
LogP2.77
Rot. Bonds7

About N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[d]pyrimidin-4-yl]phenyl]-1-methylpyrazole-4-sulfonamide

N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[d]pyrimidin-4-yl]phenyl]-1-methylpyrazole-4-sulfonamide (PubChem CID 160510211) has the molecular formula C22H21N5O3S and a molecular weight of 435.51 g/mol. Its IUPAC name is N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[d]pyrimidin-4-yl]phenyl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[d]pyrimidin-4-yl]phenyl]-1-methylpyrazole-4-sulfonamide
PubChem CID160510211
Molecular FormulaC22H21N5O3S
Molecular Weight435.51 g/mol
Exact Mass435.14
IUPAC NameN-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[d]pyrimidin-4-yl]phenyl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2ccc(-c3nc(CC(=O)C4CC4)nc4c3C=CC4)cc2)cn1
InChIInChI=1S/C22H21N5O3S/c1-27-13-17(12-23-27)31(29,30)26-16-9-7-15(8-10-16)22-18-3-2-4-19(18)24-21(25-22)11-20(28)14-5-6-14/h2-3,7-10,12-14,26H,4-6,11H2,1H3
InChIKeyQSYIGJGMFNIEFS-UHFFFAOYSA-N
XLogP2.77
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[d]pyrimidin-4-yl]phenyl]-1-methylpyrazole-4-sulfonamide 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

4-chloro-N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]phenyl]benzenesulfonamide
CID 161346277
N-cyclopropyl-2-[4-[(1-methylpyrazol-4-yl)sulfonylamino]phenyl]acetamide
CID 71806623
(2R)-2-[[4-[(1-methylpyrazol-4-yl)sulfonylamino]phenyl]methyl]butanoic acid
CID 129398690
1-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazole-4-sulfonamide
CID 71806482
N-[3-(bromomethyl)-4-ethoxyphenyl]-1-methylpyrazole-4-sulfonamide
CID 114293604
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(1-methylpyrazol-4-yl)acetamide
CID 32604191
N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-1-methylpyrazole-4-carboxamide
CID 18128242
cis-(1R,3S)-3-[(1-methylpyrazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 106321626
4-[3-[(1-methylpyrazol-4-yl)sulfonylamino]phenyl]butanoic acid
CID 167978269
4-hydroxy-N-(1-methylpyrazol-4-yl)benzenesulfonamide
CID 43535283
2-[4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43535059
N-(3-formylphenyl)-1-methylpyrazole-4-sulfonamide
CID 106912960

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[d]pyrimidin-4-yl]phenyl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[d]pyrimidin-4-yl]phenyl]-1-methylpyrazole-4-sulfonamide (CID 160510211) is N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[d]pyrimidin-4-yl]phenyl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[d]pyrimidin-4-yl]phenyl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[d]pyrimidin-4-yl]phenyl]-1-methylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)Nc2ccc(-c3nc(CC(=O)C4CC4)nc4c3C=CC4)cc2)cn1.
What is the InChIKey of N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[d]pyrimidin-4-yl]phenyl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is QSYIGJGMFNIEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3S/c1-27-13-17(12-23-27)31(29,30)26-16-9-7-15(8-10-16)22-18-3-2-4-19(18)24-21(25-22)11-20(28)14-5-6-14/h2-3,7-10,12-14,26H,4-6,11H2,1H3.
What are the key properties of N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[d]pyrimidin-4-yl]phenyl]-1-methylpyrazole-4-sulfonamide?
N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[d]pyrimidin-4-yl]phenyl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 435.51 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[d]pyrimidin-4-yl]phenyl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 160510211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).