2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-pyridin-3-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide

C24H26N8O2 — CID 155343221

IUPAC2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-pyridin-3-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
SMILESCc1cccc(/C=N/Nc2nc3c(c(N4CCOCC4)n2)CN(C(=O)Nc2cccnc2)C3)c1
InChIInChI=1S/C24H26N8O2/c1-17-4-2-5-18(12-17)13-26-30-23-28-21-16-32(24(33)27-19-6-3-7-25-14-19)15-20(21)22(29-23)31-8-10-34-11-9-31/h2-7,12-14H,8-11,15-16H2,1H3,(H,27,33)(H,28,29,30)/b26-13+
InChIKeyMCLLGTXBBQEWOQ-LGJNPRDNSA-N
MW458.53 g/mol
LogP3.01
Rot. Bonds5

About 2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-pyridin-3-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide

2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-pyridin-3-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide (PubChem CID 155343221) has the molecular formula C24H26N8O2 and a molecular weight of 458.53 g/mol. Its IUPAC name is 2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-pyridin-3-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-pyridin-3-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
PubChem CID155343221
Molecular FormulaC24H26N8O2
Molecular Weight458.53 g/mol
Exact Mass458.22
IUPAC Name2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-pyridin-3-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
SMILESCc1cccc(/C=N/Nc2nc3c(c(N4CCOCC4)n2)CN(C(=O)Nc2cccnc2)C3)c1
InChIInChI=1S/C24H26N8O2/c1-17-4-2-5-18(12-17)13-26-30-23-28-21-16-32(24(33)27-19-6-3-7-25-14-19)15-20(21)22(29-23)31-8-10-34-11-9-31/h2-7,12-14H,8-11,15-16H2,1H3,(H,27,33)(H,28,29,30)/b26-13+
InChIKeyMCLLGTXBBQEWOQ-LGJNPRDNSA-N
XLogP3.01
TPSA107.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.53
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-cyclobutyl-2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 155343098
(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
(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
(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
(2R)-2-amino-4-methyl-1-[2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pentan-1-one
CID 155350687
tert-butyl 3-[[2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]amino]azetidine-1-carboxylate
CID 155343165
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
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
2-[2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-6-yl]-1-pyridin-4-ylethanone
CID 155350583
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
4-cyclopropyl-1-[2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-6-yl]but-3-yn-2-one
CID 155350658
N-methyl-2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide
CID 138682526

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-pyridin-3-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-pyridin-3-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide (CID 155343221) is 2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-pyridin-3-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-pyridin-3-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-pyridin-3-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide is Cc1cccc(/C=N/Nc2nc3c(c(N4CCOCC4)n2)CN(C(=O)Nc2cccnc2)C3)c1.
What is the InChIKey of 2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-pyridin-3-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide?
The InChIKey is MCLLGTXBBQEWOQ-LGJNPRDNSA-N. The full InChI is InChI=1S/C24H26N8O2/c1-17-4-2-5-18(12-17)13-26-30-23-28-21-16-32(24(33)27-19-6-3-7-25-14-19)15-20(21)22(29-23)31-8-10-34-11-9-31/h2-7,12-14H,8-11,15-16H2,1H3,(H,27,33)(H,28,29,30)/b26-13+.
What are the key properties of 2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-pyridin-3-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide?
2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-pyridin-3-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide has a molecular weight of 458.53 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-pyridin-3-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 155343221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).