N-[4-[5-[[4-(4-methoxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]thiophene-2-carboxamide

C31H29N5O3S — CID 67113038

IUPACN-[4-[5-[[4-(4-methoxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]thiophene-2-carboxamide
SMILESCOC1CCN(c2ccc(C(=O)Nc3ccc4c(cnn4-c4ccc(NC(=O)c5cccs5)cc4)c3)cc2)CC1
InChIInChI=1S/C31H29N5O3S/c1-39-27-14-16-35(17-15-27)25-9-4-21(5-10-25)30(37)34-24-8-13-28-22(19-24)20-32-36(28)26-11-6-23(7-12-26)33-31(38)29-3-2-18-40-29/h2-13,18-20,27H,14-17H2,1H3,(H,33,38)(H,34,37)
InChIKeyOOSZOQBMPZKHOQ-UHFFFAOYSA-N
MW551.67 g/mol
LogP6.21
Rot. Bonds7

About N-[4-[5-[[4-(4-methoxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]thiophene-2-carboxamide

N-[4-[5-[[4-(4-methoxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]thiophene-2-carboxamide (PubChem CID 67113038) has the molecular formula C31H29N5O3S and a molecular weight of 551.67 g/mol. Its IUPAC name is N-[4-[5-[[4-(4-methoxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[5-[[4-(4-methoxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]thiophene-2-carboxamide
PubChem CID67113038
Molecular FormulaC31H29N5O3S
Molecular Weight551.67 g/mol
Exact Mass551.20
IUPAC NameN-[4-[5-[[4-(4-methoxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]thiophene-2-carboxamide
SMILESCOC1CCN(c2ccc(C(=O)Nc3ccc4c(cnn4-c4ccc(NC(=O)c5cccs5)cc4)c3)cc2)CC1
InChIInChI=1S/C31H29N5O3S/c1-39-27-14-16-35(17-15-27)25-9-4-21(5-10-25)30(37)34-24-8-13-28-22(19-24)20-32-36(28)26-11-6-23(7-12-26)33-31(38)29-3-2-18-40-29/h2-13,18-20,27H,14-17H2,1H3,(H,33,38)(H,34,37)
InChIKeyOOSZOQBMPZKHOQ-UHFFFAOYSA-N
XLogP6.21
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.67
LogP ≤ 56.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[5-[[4-(4-methoxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]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 N-[4-[5-[[4-(4-methoxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[5-[[4-(4-methoxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]thiophene-2-carboxamide (CID 67113038) is N-[4-[5-[[4-(4-methoxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[5-[[4-(4-methoxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[5-[[4-(4-methoxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]thiophene-2-carboxamide is COC1CCN(c2ccc(C(=O)Nc3ccc4c(cnn4-c4ccc(NC(=O)c5cccs5)cc4)c3)cc2)CC1.
What is the InChIKey of N-[4-[5-[[4-(4-methoxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]thiophene-2-carboxamide?
The InChIKey is OOSZOQBMPZKHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N5O3S/c1-39-27-14-16-35(17-15-27)25-9-4-21(5-10-25)30(37)34-24-8-13-28-22(19-24)20-32-36(28)26-11-6-23(7-12-26)33-31(38)29-3-2-18-40-29/h2-13,18-20,27H,14-17H2,1H3,(H,33,38)(H,34,37).
What are the key properties of N-[4-[5-[[4-(4-methoxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]thiophene-2-carboxamide?
N-[4-[5-[[4-(4-methoxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]thiophene-2-carboxamide has a molecular weight of 551.67 g/mol, XLogP of 6.21, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[[4-(4-methoxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 67113038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).