N-[4-[(3-formyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-propylamino]butyl]-4-phenylbenzamide

C28H34N4O2 — CID 52937871

IUPACN-[4-[(3-formyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-propylamino]butyl]-4-phenylbenzamide
SMILESCCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CCn2ncc(C=O)c2C1
InChIInChI=1S/C28H34N4O2/c1-2-16-31(26-14-18-32-27(19-26)25(21-33)20-30-32)17-7-6-15-29-28(34)24-12-10-23(11-13-24)22-8-4-3-5-9-22/h3-5,8-13,20-21,26H,2,6-7,14-19H2,1H3,(H,29,34)
InChIKeyLOJUPRHIDKSORB-UHFFFAOYSA-N
MW458.61 g/mol
LogP4.60
Rot. Bonds11

About N-[4-[(3-formyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-propylamino]butyl]-4-phenylbenzamide

N-[4-[(3-formyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-propylamino]butyl]-4-phenylbenzamide (PubChem CID 52937871) has the molecular formula C28H34N4O2 and a molecular weight of 458.61 g/mol. Its IUPAC name is N-[4-[(3-formyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-propylamino]butyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[4-[(3-formyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-propylamino]butyl]-4-phenylbenzamide
PubChem CID52937871
Molecular FormulaC28H34N4O2
Molecular Weight458.61 g/mol
Exact Mass458.27
IUPAC NameN-[4-[(3-formyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-propylamino]butyl]-4-phenylbenzamide
SMILESCCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CCn2ncc(C=O)c2C1
InChIInChI=1S/C28H34N4O2/c1-2-16-31(26-14-18-32-27(19-26)25(21-33)20-30-32)17-7-6-15-29-28(34)24-12-10-23(11-13-24)22-8-4-3-5-9-22/h3-5,8-13,20-21,26H,2,6-7,14-19H2,1H3,(H,29,34)
InChIKeyLOJUPRHIDKSORB-UHFFFAOYSA-N
XLogP4.60
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.61
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-[(3-formyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-propylamino]butyl]-4-phenylbenzamide 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-[(3-formyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-propylamino]butyl]-4-phenylbenzamide?
The IUPAC name of N-[4-[(3-formyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-propylamino]butyl]-4-phenylbenzamide (CID 52937871) is N-[4-[(3-formyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-propylamino]butyl]-4-phenylbenzamide.
What is the SMILES notation for N-[4-[(3-formyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-propylamino]butyl]-4-phenylbenzamide?
The canonical SMILES for N-[4-[(3-formyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-propylamino]butyl]-4-phenylbenzamide is CCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CCn2ncc(C=O)c2C1.
What is the InChIKey of N-[4-[(3-formyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-propylamino]butyl]-4-phenylbenzamide?
The InChIKey is LOJUPRHIDKSORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O2/c1-2-16-31(26-14-18-32-27(19-26)25(21-33)20-30-32)17-7-6-15-29-28(34)24-12-10-23(11-13-24)22-8-4-3-5-9-22/h3-5,8-13,20-21,26H,2,6-7,14-19H2,1H3,(H,29,34).
What are the key properties of N-[4-[(3-formyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-propylamino]butyl]-4-phenylbenzamide?
N-[4-[(3-formyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-propylamino]butyl]-4-phenylbenzamide has a molecular weight of 458.61 g/mol, XLogP of 4.60, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-formyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-propylamino]butyl]-4-phenylbenzamide is sourced from PubChem (CID 52937871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).