5-[1-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoyl]pyrrolidin-2-yl]thiophene-2-carboxamide

C19H24N4O2S — CID 45191574

IUPAC5-[1-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoyl]pyrrolidin-2-yl]thiophene-2-carboxamide
SMILESNC(=O)c1ccc(C2CCCN2C(=O)CCc2n[nH]c3c2CCCC3)s1
InChIInChI=1S/C19H24N4O2S/c20-19(25)17-9-8-16(26-17)15-6-3-11-23(15)18(24)10-7-14-12-4-1-2-5-13(12)21-22-14/h8-9,15H,1-7,10-11H2,(H2,20,25)(H,21,22)
InChIKeyNSUDAJHAJCPRSI-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.75
Rot. Bonds5

About 5-[1-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoyl]pyrrolidin-2-yl]thiophene-2-carboxamide

5-[1-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoyl]pyrrolidin-2-yl]thiophene-2-carboxamide (PubChem CID 45191574) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is 5-[1-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoyl]pyrrolidin-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[1-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoyl]pyrrolidin-2-yl]thiophene-2-carboxamide
PubChem CID45191574
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC Name5-[1-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoyl]pyrrolidin-2-yl]thiophene-2-carboxamide
SMILESNC(=O)c1ccc(C2CCCN2C(=O)CCc2n[nH]c3c2CCCC3)s1
InChIInChI=1S/C19H24N4O2S/c20-19(25)17-9-8-16(26-17)15-6-3-11-23(15)18(24)10-7-14-12-4-1-2-5-13(12)21-22-14/h8-9,15H,1-7,10-11H2,(H2,20,25)(H,21,22)
InChIKeyNSUDAJHAJCPRSI-UHFFFAOYSA-N
XLogP2.75
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[1-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoyl]pyrrolidin-2-yl]thiophene-2-carboxamide 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 5-[1-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoyl]pyrrolidin-2-yl]thiophene-2-carboxamide?
The IUPAC name of 5-[1-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoyl]pyrrolidin-2-yl]thiophene-2-carboxamide (CID 45191574) is 5-[1-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoyl]pyrrolidin-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-[1-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoyl]pyrrolidin-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-[1-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoyl]pyrrolidin-2-yl]thiophene-2-carboxamide is NC(=O)c1ccc(C2CCCN2C(=O)CCc2n[nH]c3c2CCCC3)s1.
What is the InChIKey of 5-[1-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoyl]pyrrolidin-2-yl]thiophene-2-carboxamide?
The InChIKey is NSUDAJHAJCPRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c20-19(25)17-9-8-16(26-17)15-6-3-11-23(15)18(24)10-7-14-12-4-1-2-5-13(12)21-22-14/h8-9,15H,1-7,10-11H2,(H2,20,25)(H,21,22).
What are the key properties of 5-[1-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoyl]pyrrolidin-2-yl]thiophene-2-carboxamide?
5-[1-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoyl]pyrrolidin-2-yl]thiophene-2-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoyl]pyrrolidin-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 45191574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).