N-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]acetamide

C23H20N6O2 — CID 157197195

IUPACN-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)CCC3=NO)cc1
InChIInChI=1S/C23H20N6O2/c1-14(30)25-17-5-2-15(3-6-17)22-23(29-11-10-24-13-21(29)27-22)26-18-7-8-19-16(12-18)4-9-20(19)28-31/h2-3,5-8,10-13,26,31H,4,9H2,1H3,(H,25,30)
InChIKeyNVLXQHRFHCDRDC-UHFFFAOYSA-N
MW412.45 g/mol
LogP4.22
Rot. Bonds4

About N-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]acetamide

N-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]acetamide (PubChem CID 157197195) has the molecular formula C23H20N6O2 and a molecular weight of 412.45 g/mol. Its IUPAC name is N-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]acetamide
PubChem CID157197195
Molecular FormulaC23H20N6O2
Molecular Weight412.45 g/mol
Exact Mass412.16
IUPAC NameN-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)CCC3=NO)cc1
InChIInChI=1S/C23H20N6O2/c1-14(30)25-17-5-2-15(3-6-17)22-23(29-11-10-24-13-21(29)27-22)26-18-7-8-19-16(12-18)4-9-20(19)28-31/h2-3,5-8,10-13,26,31H,4,9H2,1H3,(H,25,30)
InChIKeyNVLXQHRFHCDRDC-UHFFFAOYSA-N
XLogP4.22
TPSA103.91 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]acetamide?
The IUPAC name of N-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]acetamide (CID 157197195) is N-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)CCC3=NO)cc1.
What is the InChIKey of N-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]acetamide?
The InChIKey is NVLXQHRFHCDRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O2/c1-14(30)25-17-5-2-15(3-6-17)22-23(29-11-10-24-13-21(29)27-22)26-18-7-8-19-16(12-18)4-9-20(19)28-31/h2-3,5-8,10-13,26,31H,4,9H2,1H3,(H,25,30).
What are the key properties of N-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]acetamide?
N-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]acetamide has a molecular weight of 412.45 g/mol, XLogP of 4.22, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]acetamide is sourced from PubChem (CID 157197195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).