N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2S,5R)-2-imidazo[1,5-a]pyridin-6-yl-5-methylpiperidin-1-yl]-2-oxoacetamide

C23H26N6O2 — CID 164751419

IUPACN-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2S,5R)-2-imidazo[1,5-a]pyridin-6-yl-5-methylpiperidin-1-yl]-2-oxoacetamide
SMILESC[C@@H]1CC[C@@H](c2ccc3cncn3c2)N(C(=O)C(=O)Nc2cnc(N)c(C3CC3)c2)C1
InChIInChI=1S/C23H26N6O2/c1-14-2-7-20(16-5-6-18-10-25-13-28(18)12-16)29(11-14)23(31)22(30)27-17-8-19(15-3-4-15)21(24)26-9-17/h5-6,8-10,12-15,20H,2-4,7,11H2,1H3,(H2,24,26)(H,27,30)/t14-,20+/m1/s1
InChIKeyNSIYMZAUIBOQMY-VLIAUNLRSA-N
MW418.50 g/mol
LogP3.13
Rot. Bonds3

About N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2S,5R)-2-imidazo[1,5-a]pyridin-6-yl-5-methylpiperidin-1-yl]-2-oxoacetamide

N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2S,5R)-2-imidazo[1,5-a]pyridin-6-yl-5-methylpiperidin-1-yl]-2-oxoacetamide (PubChem CID 164751419) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2S,5R)-2-imidazo[1,5-a]pyridin-6-yl-5-methylpiperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2S,5R)-2-imidazo[1,5-a]pyridin-6-yl-5-methylpiperidin-1-yl]-2-oxoacetamide
PubChem CID164751419
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC NameN-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2S,5R)-2-imidazo[1,5-a]pyridin-6-yl-5-methylpiperidin-1-yl]-2-oxoacetamide
SMILESC[C@@H]1CC[C@@H](c2ccc3cncn3c2)N(C(=O)C(=O)Nc2cnc(N)c(C3CC3)c2)C1
InChIInChI=1S/C23H26N6O2/c1-14-2-7-20(16-5-6-18-10-25-13-28(18)12-16)29(11-14)23(31)22(30)27-17-8-19(15-3-4-15)21(24)26-9-17/h5-6,8-10,12-15,20H,2-4,7,11H2,1H3,(H2,24,26)(H,27,30)/t14-,20+/m1/s1
InChIKeyNSIYMZAUIBOQMY-VLIAUNLRSA-N
XLogP3.13
TPSA105.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2S,5R)-2-imidazo[1,5-a]pyridin-6-yl-5-methylpiperidin-1-yl]-2-oxoacetamide 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-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2S,5R)-2-imidazo[1,5-a]pyridin-6-yl-5-methylpiperidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2S,5R)-2-imidazo[1,5-a]pyridin-6-yl-5-methylpiperidin-1-yl]-2-oxoacetamide (CID 164751419) is N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2S,5R)-2-imidazo[1,5-a]pyridin-6-yl-5-methylpiperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2S,5R)-2-imidazo[1,5-a]pyridin-6-yl-5-methylpiperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2S,5R)-2-imidazo[1,5-a]pyridin-6-yl-5-methylpiperidin-1-yl]-2-oxoacetamide is C[C@@H]1CC[C@@H](c2ccc3cncn3c2)N(C(=O)C(=O)Nc2cnc(N)c(C3CC3)c2)C1.
What is the InChIKey of N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2S,5R)-2-imidazo[1,5-a]pyridin-6-yl-5-methylpiperidin-1-yl]-2-oxoacetamide?
The InChIKey is NSIYMZAUIBOQMY-VLIAUNLRSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-14-2-7-20(16-5-6-18-10-25-13-28(18)12-16)29(11-14)23(31)22(30)27-17-8-19(15-3-4-15)21(24)26-9-17/h5-6,8-10,12-15,20H,2-4,7,11H2,1H3,(H2,24,26)(H,27,30)/t14-,20+/m1/s1.
What are the key properties of N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2S,5R)-2-imidazo[1,5-a]pyridin-6-yl-5-methylpiperidin-1-yl]-2-oxoacetamide?
N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2S,5R)-2-imidazo[1,5-a]pyridin-6-yl-5-methylpiperidin-1-yl]-2-oxoacetamide has a molecular weight of 418.50 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2S,5R)-2-imidazo[1,5-a]pyridin-6-yl-5-methylpiperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 164751419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).