N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]-5-(pyrrolidine-1-carbonyl)phenyl]-3-methylthiophene-2-carboxamide

C26H24N4O2S — CID 69002089

IUPACN-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]-5-(pyrrolidine-1-carbonyl)phenyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1cc(C(=O)N2CCCC2)ccc1/C=C/c1n[nH]c2ccccc12
InChIInChI=1S/C26H24N4O2S/c1-17-12-15-33-24(17)25(31)27-23-16-19(26(32)30-13-4-5-14-30)9-8-18(23)10-11-22-20-6-2-3-7-21(20)28-29-22/h2-3,6-12,15-16H,4-5,13-14H2,1H3,(H,27,31)(H,28,29)/b11-10+
InChIKeySZPNLQVZNACVNE-ZHACJKMWSA-N
MW456.57 g/mol
LogP5.59
Rot. Bonds5

About N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]-5-(pyrrolidine-1-carbonyl)phenyl]-3-methylthiophene-2-carboxamide

N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]-5-(pyrrolidine-1-carbonyl)phenyl]-3-methylthiophene-2-carboxamide (PubChem CID 69002089) has the molecular formula C26H24N4O2S and a molecular weight of 456.57 g/mol. Its IUPAC name is N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]-5-(pyrrolidine-1-carbonyl)phenyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]-5-(pyrrolidine-1-carbonyl)phenyl]-3-methylthiophene-2-carboxamide
PubChem CID69002089
Molecular FormulaC26H24N4O2S
Molecular Weight456.57 g/mol
Exact Mass456.16
IUPAC NameN-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]-5-(pyrrolidine-1-carbonyl)phenyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1cc(C(=O)N2CCCC2)ccc1/C=C/c1n[nH]c2ccccc12
InChIInChI=1S/C26H24N4O2S/c1-17-12-15-33-24(17)25(31)27-23-16-19(26(32)30-13-4-5-14-30)9-8-18(23)10-11-22-20-6-2-3-7-21(20)28-29-22/h2-3,6-12,15-16H,4-5,13-14H2,1H3,(H,27,31)(H,28,29)/b11-10+
InChIKeySZPNLQVZNACVNE-ZHACJKMWSA-N
XLogP5.59
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.57
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]-5-(pyrrolidine-1-carbonyl)phenyl]-3-methylthiophene-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 N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]-5-(pyrrolidine-1-carbonyl)phenyl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]-5-(pyrrolidine-1-carbonyl)phenyl]-3-methylthiophene-2-carboxamide (CID 69002089) is N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]-5-(pyrrolidine-1-carbonyl)phenyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]-5-(pyrrolidine-1-carbonyl)phenyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]-5-(pyrrolidine-1-carbonyl)phenyl]-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)Nc1cc(C(=O)N2CCCC2)ccc1/C=C/c1n[nH]c2ccccc12.
What is the InChIKey of N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]-5-(pyrrolidine-1-carbonyl)phenyl]-3-methylthiophene-2-carboxamide?
The InChIKey is SZPNLQVZNACVNE-ZHACJKMWSA-N. The full InChI is InChI=1S/C26H24N4O2S/c1-17-12-15-33-24(17)25(31)27-23-16-19(26(32)30-13-4-5-14-30)9-8-18(23)10-11-22-20-6-2-3-7-21(20)28-29-22/h2-3,6-12,15-16H,4-5,13-14H2,1H3,(H,27,31)(H,28,29)/b11-10+.
What are the key properties of N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]-5-(pyrrolidine-1-carbonyl)phenyl]-3-methylthiophene-2-carboxamide?
N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]-5-(pyrrolidine-1-carbonyl)phenyl]-3-methylthiophene-2-carboxamide has a molecular weight of 456.57 g/mol, XLogP of 5.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]-5-(pyrrolidine-1-carbonyl)phenyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 69002089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).