4-[2-amino-5-[1-(2-methoxyethyl)pyrazol-4-yl]-3-pyridinyl]-N-benzylbenzamide

C25H25N5O2 — CID 134503968

IUPAC4-[2-amino-5-[1-(2-methoxyethyl)pyrazol-4-yl]-3-pyridinyl]-N-benzylbenzamide
SMILESCOCCn1cc(-c2cnc(N)c(-c3ccc(C(=O)NCc4ccccc4)cc3)c2)cn1
InChIInChI=1S/C25H25N5O2/c1-32-12-11-30-17-22(16-29-30)21-13-23(24(26)27-15-21)19-7-9-20(10-8-19)25(31)28-14-18-5-3-2-4-6-18/h2-10,13,15-17H,11-12,14H2,1H3,(H2,26,27)(H,28,31)
InChIKeyYKGSOKHVBPIXJV-UHFFFAOYSA-N
MW427.51 g/mol
LogP3.77
Rot. Bonds8

About 4-[2-amino-5-[1-(2-methoxyethyl)pyrazol-4-yl]-3-pyridinyl]-N-benzylbenzamide

4-[2-amino-5-[1-(2-methoxyethyl)pyrazol-4-yl]-3-pyridinyl]-N-benzylbenzamide (PubChem CID 134503968) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is 4-[2-amino-5-[1-(2-methoxyethyl)pyrazol-4-yl]-3-pyridinyl]-N-benzylbenzamide.

Molecular Properties

Compound Name4-[2-amino-5-[1-(2-methoxyethyl)pyrazol-4-yl]-3-pyridinyl]-N-benzylbenzamide
PubChem CID134503968
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC Name4-[2-amino-5-[1-(2-methoxyethyl)pyrazol-4-yl]-3-pyridinyl]-N-benzylbenzamide
SMILESCOCCn1cc(-c2cnc(N)c(-c3ccc(C(=O)NCc4ccccc4)cc3)c2)cn1
InChIInChI=1S/C25H25N5O2/c1-32-12-11-30-17-22(16-29-30)21-13-23(24(26)27-15-21)19-7-9-20(10-8-19)25(31)28-14-18-5-3-2-4-6-18/h2-10,13,15-17H,11-12,14H2,1H3,(H2,26,27)(H,28,31)
InChIKeyYKGSOKHVBPIXJV-UHFFFAOYSA-N
XLogP3.77
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[2-amino-5-[1-(2-methoxyethyl)pyrazol-4-yl]-3-pyridinyl]-N-benzylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethynyl]-N-benzyl-5-fluorobenzamide
CID 169178373
8-amino-N-cyclopropyl-5-[4-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]-1,7-naphthyridine-3-carboxamide
CID 146330463
N-benzyl-6-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 3916665
4-(3-aminopyrazin-2-yl)-N-benzylbenzamide
CID 118046170
N-benzyl-6-(2-methoxyethylamino)pyridine-3-carboxamide
CID 109152863
N-benzyl-4-[2-(benzylamino)pyrimidin-5-yl]benzamide
CID 53108687
2-[4-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazol-1-yl]ethanol
CID 172649303
2-amino-N-furo[3,2-b]pyridin-7-yl-5-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-3-carboxamide
CID 71061603
methyl 4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-methylbenzoate
CID 118045392
N-[3-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]acetamide
CID 154687718
6-amino-N-benzyl-5-chloropyridine-3-carboxamide
CID 62153073
3-[6-amino-5-(4-phenylphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 25106863

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-5-[1-(2-methoxyethyl)pyrazol-4-yl]-3-pyridinyl]-N-benzylbenzamide?
The IUPAC name of 4-[2-amino-5-[1-(2-methoxyethyl)pyrazol-4-yl]-3-pyridinyl]-N-benzylbenzamide (CID 134503968) is 4-[2-amino-5-[1-(2-methoxyethyl)pyrazol-4-yl]-3-pyridinyl]-N-benzylbenzamide.
What is the SMILES notation for 4-[2-amino-5-[1-(2-methoxyethyl)pyrazol-4-yl]-3-pyridinyl]-N-benzylbenzamide?
The canonical SMILES for 4-[2-amino-5-[1-(2-methoxyethyl)pyrazol-4-yl]-3-pyridinyl]-N-benzylbenzamide is COCCn1cc(-c2cnc(N)c(-c3ccc(C(=O)NCc4ccccc4)cc3)c2)cn1.
What is the InChIKey of 4-[2-amino-5-[1-(2-methoxyethyl)pyrazol-4-yl]-3-pyridinyl]-N-benzylbenzamide?
The InChIKey is YKGSOKHVBPIXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-32-12-11-30-17-22(16-29-30)21-13-23(24(26)27-15-21)19-7-9-20(10-8-19)25(31)28-14-18-5-3-2-4-6-18/h2-10,13,15-17H,11-12,14H2,1H3,(H2,26,27)(H,28,31).
What are the key properties of 4-[2-amino-5-[1-(2-methoxyethyl)pyrazol-4-yl]-3-pyridinyl]-N-benzylbenzamide?
4-[2-amino-5-[1-(2-methoxyethyl)pyrazol-4-yl]-3-pyridinyl]-N-benzylbenzamide has a molecular weight of 427.51 g/mol, XLogP of 3.77, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-5-[1-(2-methoxyethyl)pyrazol-4-yl]-3-pyridinyl]-N-benzylbenzamide is sourced from PubChem (CID 134503968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).