molecular hydrogen;N-[(E)-2-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]pent-2-enylidene]ethanimidamide

C22H24N6O — CID 143681997

IUPACmolecular hydrogen;N-[(E)-2-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]pent-2-enylidene]ethanimidamide
SMILES[H]/N=C(C)/N=C/C(=C\CC)Nc1ccc(-c2ccc3c(c2)CNC3=O)n2ccnc12.[H][H]
InChIInChI=1S/C22H22N6O.H2/c1-3-4-17(13-25-14(2)23)27-19-7-8-20(28-10-9-24-21(19)28)15-5-6-18-16(11-15)12-26-22(18)29;/h4-11,13,23,27H,3,12H2,1-2H3,(H,26,29);1H/b17-4+,23-14+,25-13+;
InChIKeyZMVPFDZRJUYVBJ-VTRJAMQISA-N
MW388.48 g/mol
LogP4.26
Rot. Bonds5

About molecular hydrogen;N-[(E)-2-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]pent-2-enylidene]ethanimidamide

molecular hydrogen;N-[(E)-2-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]pent-2-enylidene]ethanimidamide (PubChem CID 143681997) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is molecular hydrogen;N-[(E)-2-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]pent-2-enylidene]ethanimidamide.

Molecular Properties

Compound Namemolecular hydrogen;N-[(E)-2-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]pent-2-enylidene]ethanimidamide
PubChem CID143681997
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Namemolecular hydrogen;N-[(E)-2-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]pent-2-enylidene]ethanimidamide
SMILES[H]/N=C(C)/N=C/C(=C\CC)Nc1ccc(-c2ccc3c(c2)CNC3=O)n2ccnc12.[H][H]
InChIInChI=1S/C22H22N6O.H2/c1-3-4-17(13-25-14(2)23)27-19-7-8-20(28-10-9-24-21(19)28)15-5-6-18-16(11-15)12-26-22(18)29;/h4-11,13,23,27H,3,12H2,1-2H3,(H,26,29);1H/b17-4+,23-14+,25-13+;
InChIKeyZMVPFDZRJUYVBJ-VTRJAMQISA-N
XLogP4.26
TPSA94.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;N-[(E)-2-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]pent-2-enylidene]ethanimidamide?
The IUPAC name of molecular hydrogen;N-[(E)-2-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]pent-2-enylidene]ethanimidamide (CID 143681997) is molecular hydrogen;N-[(E)-2-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]pent-2-enylidene]ethanimidamide.
What is the SMILES notation for molecular hydrogen;N-[(E)-2-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]pent-2-enylidene]ethanimidamide?
The canonical SMILES for molecular hydrogen;N-[(E)-2-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]pent-2-enylidene]ethanimidamide is [H]/N=C(C)/N=C/C(=C\CC)Nc1ccc(-c2ccc3c(c2)CNC3=O)n2ccnc12.[H][H].
What is the InChIKey of molecular hydrogen;N-[(E)-2-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]pent-2-enylidene]ethanimidamide?
The InChIKey is ZMVPFDZRJUYVBJ-VTRJAMQISA-N. The full InChI is InChI=1S/C22H22N6O.H2/c1-3-4-17(13-25-14(2)23)27-19-7-8-20(28-10-9-24-21(19)28)15-5-6-18-16(11-15)12-26-22(18)29;/h4-11,13,23,27H,3,12H2,1-2H3,(H,26,29);1H/b17-4+,23-14+,25-13+;.
What are the key properties of molecular hydrogen;N-[(E)-2-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]pent-2-enylidene]ethanimidamide?
molecular hydrogen;N-[(E)-2-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]pent-2-enylidene]ethanimidamide has a molecular weight of 388.48 g/mol, XLogP of 4.26, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;N-[(E)-2-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]pent-2-enylidene]ethanimidamide is sourced from PubChem (CID 143681997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).