5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(2-methyl-3-pyridinyl)-1,3,4-oxadiazolidin-2-imine

C19H18N8O — CID 136969824

IUPAC5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(2-methyl-3-pyridinyl)-1,3,4-oxadiazolidin-2-imine
SMILESCc1ncccc1/N=C1/NNC(c2c[nH]c3ncc(-c4cnn(C)c4)cc23)O1
InChIInChI=1S/C19H18N8O/c1-11-16(4-3-5-20-11)24-19-26-25-18(28-19)15-9-22-17-14(15)6-12(7-21-17)13-8-23-27(2)10-13/h3-10,18,25H,1-2H3,(H,21,22)(H,24,26)
InChIKeyIBWJQTLSGDOECC-UHFFFAOYSA-N
MW374.41 g/mol
LogP2.48
Rot. Bonds3

About 5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(2-methyl-3-pyridinyl)-1,3,4-oxadiazolidin-2-imine

5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(2-methyl-3-pyridinyl)-1,3,4-oxadiazolidin-2-imine (PubChem CID 136969824) has the molecular formula C19H18N8O and a molecular weight of 374.41 g/mol. Its IUPAC name is 5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(2-methyl-3-pyridinyl)-1,3,4-oxadiazolidin-2-imine.

Molecular Properties

Compound Name5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(2-methyl-3-pyridinyl)-1,3,4-oxadiazolidin-2-imine
PubChem CID136969824
Molecular FormulaC19H18N8O
Molecular Weight374.41 g/mol
Exact Mass374.16
IUPAC Name5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(2-methyl-3-pyridinyl)-1,3,4-oxadiazolidin-2-imine
SMILESCc1ncccc1/N=C1/NNC(c2c[nH]c3ncc(-c4cnn(C)c4)cc23)O1
InChIInChI=1S/C19H18N8O/c1-11-16(4-3-5-20-11)24-19-26-25-18(28-19)15-9-22-17-14(15)6-12(7-21-17)13-8-23-27(2)10-13/h3-10,18,25H,1-2H3,(H,21,22)(H,24,26)
InChIKeyIBWJQTLSGDOECC-UHFFFAOYSA-N
XLogP2.48
TPSA105.04 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(2-methyl-3-pyridinyl)-1,3,4-oxadiazolidin-2-imine with MolForge

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Related Compounds

3-chloro-N-cyclopropyl-4-[[5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazolidin-2-ylidene]amino]benzamide
CID 136969790
tert-butyl 3-[4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]piperidin-1-yl]sulfonylazetidine-1-carboxylate
CID 146372880
2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetohydrazide
CID 59320322
(1S)-1-[2-amino-6-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-pyridin-3-ylethanol
CID 53252628
2-benzyl-5-methyl-4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole
CID 57344834
[3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2,4-oxadiazol-5-yl]-phenylmethanone
CID 135981907
4-[8-(1-methylpyrazol-4-yl)-3H-pyrrolo[2,3-c]isoquinolin-1-yl]cyclohexan-1-ol
CID 168926736
N-[2-methoxy-5-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]benzenesulfonamide
CID 156782659
2-[methoxy(phenyl)methyl]-5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazole
CID 135981818
3-cyclobutyl-5-[1-(difluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 166302110
(3S)-3-ethyl-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
CID 176991089
(3R)-3-ethyl-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
CID 176991107

Frequently Asked Questions

What is the IUPAC name of 5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(2-methyl-3-pyridinyl)-1,3,4-oxadiazolidin-2-imine?
The IUPAC name of 5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(2-methyl-3-pyridinyl)-1,3,4-oxadiazolidin-2-imine (CID 136969824) is 5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(2-methyl-3-pyridinyl)-1,3,4-oxadiazolidin-2-imine.
What is the SMILES notation for 5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(2-methyl-3-pyridinyl)-1,3,4-oxadiazolidin-2-imine?
The canonical SMILES for 5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(2-methyl-3-pyridinyl)-1,3,4-oxadiazolidin-2-imine is Cc1ncccc1/N=C1/NNC(c2c[nH]c3ncc(-c4cnn(C)c4)cc23)O1.
What is the InChIKey of 5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(2-methyl-3-pyridinyl)-1,3,4-oxadiazolidin-2-imine?
The InChIKey is IBWJQTLSGDOECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N8O/c1-11-16(4-3-5-20-11)24-19-26-25-18(28-19)15-9-22-17-14(15)6-12(7-21-17)13-8-23-27(2)10-13/h3-10,18,25H,1-2H3,(H,21,22)(H,24,26).
What are the key properties of 5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(2-methyl-3-pyridinyl)-1,3,4-oxadiazolidin-2-imine?
5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(2-methyl-3-pyridinyl)-1,3,4-oxadiazolidin-2-imine has a molecular weight of 374.41 g/mol, XLogP of 2.48, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(2-methyl-3-pyridinyl)-1,3,4-oxadiazolidin-2-imine is sourced from PubChem (CID 136969824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).