N-methyl-2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide

C20H23N7O2 — CID 138682526

IUPACN-methyl-2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide
SMILESCNC(=O)c1cc2nc(N/N=C/c3cccc(C)c3)nc(N3CCOCC3)c2[nH]1
InChIInChI=1S/C20H23N7O2/c1-13-4-3-5-14(10-13)12-22-26-20-24-15-11-16(19(28)21-2)23-17(15)18(25-20)27-6-8-29-9-7-27/h3-5,10-12,23H,6-9H2,1-2H3,(H,21,28)(H,24,25,26)/b22-12+
InChIKeyKDXBMJIFCITUAT-WSDLNYQXSA-N
MW393.45 g/mol
LogP1.91
Rot. Bonds5

About N-methyl-2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide

N-methyl-2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide (PubChem CID 138682526) has the molecular formula C20H23N7O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is N-methyl-2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-methyl-2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide
PubChem CID138682526
Molecular FormulaC20H23N7O2
Molecular Weight393.45 g/mol
Exact Mass393.19
IUPAC NameN-methyl-2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide
SMILESCNC(=O)c1cc2nc(N/N=C/c3cccc(C)c3)nc(N3CCOCC3)c2[nH]1
InChIInChI=1S/C20H23N7O2/c1-13-4-3-5-14(10-13)12-22-26-20-24-15-11-16(19(28)21-2)23-17(15)18(25-20)27-6-8-29-9-7-27/h3-5,10-12,23H,6-9H2,1-2H3,(H,21,28)(H,24,25,26)/b22-12+
InChIKeyKDXBMJIFCITUAT-WSDLNYQXSA-N
XLogP1.91
TPSA107.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-methyl-2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide 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

2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-(oxetan-3-yl)-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide
CID 138682644
2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide
CID 138682636
N-cyclohexyl-2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-yl-7H-purine-8-carboxamide
CID 138682292
(1-aminocyclopropyl)-[2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone
CID 155732856
5-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-7-morpholin-4-yl-N-pyridin-2-yl-[1,3]oxazolo[4,5-d]pyrimidine-2-carboxamide
CID 138682574
2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-piperidin-4-yl-5H-cyclopenta[d]pyrimidine-6-carboxamide
CID 172966903
3-[(E)-[(4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)hydrazinylidene]methyl]phenol
CID 168922526
(2S)-2-amino-3-methyl-1-[2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]butan-1-one
CID 155350585
1-[4-[2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one
CID 164784133
N,N-dimethyl-2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-sulfonamide
CID 164784119
N-cyclobutyl-2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 155343098
(5-methyl-1,2-oxazol-4-yl)-[2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone
CID 155350725

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide?
The IUPAC name of N-methyl-2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide (CID 138682526) is N-methyl-2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-methyl-2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-methyl-2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide is CNC(=O)c1cc2nc(N/N=C/c3cccc(C)c3)nc(N3CCOCC3)c2[nH]1.
What is the InChIKey of N-methyl-2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide?
The InChIKey is KDXBMJIFCITUAT-WSDLNYQXSA-N. The full InChI is InChI=1S/C20H23N7O2/c1-13-4-3-5-14(10-13)12-22-26-20-24-15-11-16(19(28)21-2)23-17(15)18(25-20)27-6-8-29-9-7-27/h3-5,10-12,23H,6-9H2,1-2H3,(H,21,28)(H,24,25,26)/b22-12+.
What are the key properties of N-methyl-2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide?
N-methyl-2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 1.91, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 138682526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).