N-[3-[5-amino-4-cyano-1-(4-methylphenyl)pyrazol-3-yl]propyl]-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide

C30H29N7O2 — CID 166378912

IUPACN-[3-[5-amino-4-cyano-1-(4-methylphenyl)pyrazol-3-yl]propyl]-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
SMILESCc1ccc(-n2nc(CCCNC(=O)c3ccccc3OCc3cn4cccc(C)c4n3)c(C#N)c2N)cc1
InChIInChI=1S/C30H29N7O2/c1-20-11-13-23(14-12-20)37-28(32)25(17-31)26(35-37)9-5-15-33-30(38)24-8-3-4-10-27(24)39-19-22-18-36-16-6-7-21(2)29(36)34-22/h3-4,6-8,10-14,16,18H,5,9,15,19,32H2,1-2H3,(H,33,38)
InChIKeyCNNFBXACJHMBBY-UHFFFAOYSA-N
MW519.61 g/mol
LogP4.53
Rot. Bonds9

About N-[3-[5-amino-4-cyano-1-(4-methylphenyl)pyrazol-3-yl]propyl]-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide

N-[3-[5-amino-4-cyano-1-(4-methylphenyl)pyrazol-3-yl]propyl]-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide (PubChem CID 166378912) has the molecular formula C30H29N7O2 and a molecular weight of 519.61 g/mol. Its IUPAC name is N-[3-[5-amino-4-cyano-1-(4-methylphenyl)pyrazol-3-yl]propyl]-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[3-[5-amino-4-cyano-1-(4-methylphenyl)pyrazol-3-yl]propyl]-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
PubChem CID166378912
Molecular FormulaC30H29N7O2
Molecular Weight519.61 g/mol
Exact Mass519.24
IUPAC NameN-[3-[5-amino-4-cyano-1-(4-methylphenyl)pyrazol-3-yl]propyl]-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
SMILESCc1ccc(-n2nc(CCCNC(=O)c3ccccc3OCc3cn4cccc(C)c4n3)c(C#N)c2N)cc1
InChIInChI=1S/C30H29N7O2/c1-20-11-13-23(14-12-20)37-28(32)25(17-31)26(35-37)9-5-15-33-30(38)24-8-3-4-10-27(24)39-19-22-18-36-16-6-7-21(2)29(36)34-22/h3-4,6-8,10-14,16,18H,5,9,15,19,32H2,1-2H3,(H,33,38)
InChIKeyCNNFBXACJHMBBY-UHFFFAOYSA-N
XLogP4.53
TPSA123.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.61
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[3-[5-amino-4-cyano-1-(4-methylphenyl)pyrazol-3-yl]propyl]-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide 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-[3-[5-amino-4-cyano-1-(4-methylphenyl)pyrazol-3-yl]propyl]-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?
The IUPAC name of N-[3-[5-amino-4-cyano-1-(4-methylphenyl)pyrazol-3-yl]propyl]-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide (CID 166378912) is N-[3-[5-amino-4-cyano-1-(4-methylphenyl)pyrazol-3-yl]propyl]-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide.
What is the SMILES notation for N-[3-[5-amino-4-cyano-1-(4-methylphenyl)pyrazol-3-yl]propyl]-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?
The canonical SMILES for N-[3-[5-amino-4-cyano-1-(4-methylphenyl)pyrazol-3-yl]propyl]-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide is Cc1ccc(-n2nc(CCCNC(=O)c3ccccc3OCc3cn4cccc(C)c4n3)c(C#N)c2N)cc1.
What is the InChIKey of N-[3-[5-amino-4-cyano-1-(4-methylphenyl)pyrazol-3-yl]propyl]-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?
The InChIKey is CNNFBXACJHMBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N7O2/c1-20-11-13-23(14-12-20)37-28(32)25(17-31)26(35-37)9-5-15-33-30(38)24-8-3-4-10-27(24)39-19-22-18-36-16-6-7-21(2)29(36)34-22/h3-4,6-8,10-14,16,18H,5,9,15,19,32H2,1-2H3,(H,33,38).
What are the key properties of N-[3-[5-amino-4-cyano-1-(4-methylphenyl)pyrazol-3-yl]propyl]-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?
N-[3-[5-amino-4-cyano-1-(4-methylphenyl)pyrazol-3-yl]propyl]-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide has a molecular weight of 519.61 g/mol, XLogP of 4.53, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-amino-4-cyano-1-(4-methylphenyl)pyrazol-3-yl]propyl]-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide is sourced from PubChem (CID 166378912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).