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

C24H22N6O2 — CID 135510543

IUPACN-[3-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]-4-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(-c2nc3cnccn3c2Nc2ccc3c(c2)CC/C3=N\O)c1
InChIInChI=1S/C24H22N6O2/c1-14-3-5-18(26-15(2)31)12-20(14)23-24(30-10-9-25-13-22(30)28-23)27-17-6-7-19-16(11-17)4-8-21(19)29-32/h3,5-7,9-13,27,32H,4,8H2,1-2H3,(H,26,31)/b29-21+
InChIKeyVRPCRCZQZJUKSV-XHLNEMQHSA-N
MW426.48 g/mol
LogP4.53
Rot. Bonds4

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

N-[3-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]-4-methylphenyl]acetamide (PubChem CID 135510543) has the molecular formula C24H22N6O2 and a molecular weight of 426.48 g/mol. Its IUPAC name is N-[3-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]-4-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]-4-methylphenyl]acetamide
PubChem CID135510543
Molecular FormulaC24H22N6O2
Molecular Weight426.48 g/mol
Exact Mass426.18
IUPAC NameN-[3-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]-4-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(-c2nc3cnccn3c2Nc2ccc3c(c2)CC/C3=N\O)c1
InChIInChI=1S/C24H22N6O2/c1-14-3-5-18(26-15(2)31)12-20(14)23-24(30-10-9-25-13-22(30)28-23)27-17-6-7-19-16(11-17)4-8-21(19)29-32/h3,5-7,9-13,27,32H,4,8H2,1-2H3,(H,26,31)/b29-21+
InChIKeyVRPCRCZQZJUKSV-XHLNEMQHSA-N
XLogP4.53
TPSA103.91 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 54.53
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-[3-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]-4-methylphenyl]acetamide?
The IUPAC name of N-[3-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]-4-methylphenyl]acetamide (CID 135510543) is N-[3-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]-4-methylphenyl]acetamide.
What is the SMILES notation for N-[3-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]-4-methylphenyl]acetamide?
The canonical SMILES for N-[3-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]-4-methylphenyl]acetamide is CC(=O)Nc1ccc(C)c(-c2nc3cnccn3c2Nc2ccc3c(c2)CC/C3=N\O)c1.
What is the InChIKey of N-[3-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]-4-methylphenyl]acetamide?
The InChIKey is VRPCRCZQZJUKSV-XHLNEMQHSA-N. The full InChI is InChI=1S/C24H22N6O2/c1-14-3-5-18(26-15(2)31)12-20(14)23-24(30-10-9-25-13-22(30)28-23)27-17-6-7-19-16(11-17)4-8-21(19)29-32/h3,5-7,9-13,27,32H,4,8H2,1-2H3,(H,26,31)/b29-21+.
What are the key properties of N-[3-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]-4-methylphenyl]acetamide?
N-[3-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]-4-methylphenyl]acetamide has a molecular weight of 426.48 g/mol, XLogP of 4.53, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]-4-methylphenyl]acetamide is sourced from PubChem (CID 135510543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).