N-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide

C26H30FN5O3S — CID 147763932

IUPACN-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide
SMILESCC(c1cc(S(=O)(=O)NC(=O)Cc2c(-c3ccncc3)cc(F)c3c2CCC3)nn1C1CC1)N(C)C
InChIInChI=1S/C26H30FN5O3S/c1-16(31(2)3)24-15-26(29-32(24)18-7-8-18)36(34,35)30-25(33)14-22-19-5-4-6-20(19)23(27)13-21(22)17-9-11-28-12-10-17/h9-13,15-16,18H,4-8,14H2,1-3H3,(H,30,33)
InChIKeyHEPVNROTZOCGFT-UHFFFAOYSA-N
MW511.62 g/mol
LogP3.58
Rot. Bonds8

About N-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide

N-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide (PubChem CID 147763932) has the molecular formula C26H30FN5O3S and a molecular weight of 511.62 g/mol. Its IUPAC name is N-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide.

Molecular Properties

Compound NameN-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide
PubChem CID147763932
Molecular FormulaC26H30FN5O3S
Molecular Weight511.62 g/mol
Exact Mass511.21
IUPAC NameN-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide
SMILESCC(c1cc(S(=O)(=O)NC(=O)Cc2c(-c3ccncc3)cc(F)c3c2CCC3)nn1C1CC1)N(C)C
InChIInChI=1S/C26H30FN5O3S/c1-16(31(2)3)24-15-26(29-32(24)18-7-8-18)36(34,35)30-25(33)14-22-19-5-4-6-20(19)23(27)13-21(22)17-9-11-28-12-10-17/h9-13,15-16,18H,4-8,14H2,1-3H3,(H,30,33)
InChIKeyHEPVNROTZOCGFT-UHFFFAOYSA-N
XLogP3.58
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.62
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide 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-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide?
The IUPAC name of N-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide (CID 147763932) is N-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide.
What is the SMILES notation for N-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide?
The canonical SMILES for N-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide is CC(c1cc(S(=O)(=O)NC(=O)Cc2c(-c3ccncc3)cc(F)c3c2CCC3)nn1C1CC1)N(C)C.
What is the InChIKey of N-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide?
The InChIKey is HEPVNROTZOCGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5O3S/c1-16(31(2)3)24-15-26(29-32(24)18-7-8-18)36(34,35)30-25(33)14-22-19-5-4-6-20(19)23(27)13-21(22)17-9-11-28-12-10-17/h9-13,15-16,18H,4-8,14H2,1-3H3,(H,30,33).
What are the key properties of N-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide?
N-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide has a molecular weight of 511.62 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide is sourced from PubChem (CID 147763932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).