2-cyclopropyl-4,5-dimethyl-N'-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)thieno[2,3-d]pyrimidine-6-carbohydrazide

C21H20N6O2S — CID 24672221

IUPAC2-cyclopropyl-4,5-dimethyl-N'-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)thieno[2,3-d]pyrimidine-6-carbohydrazide
SMILESCc1nc2ccccn2c1C(=O)NNC(=O)c1sc2nc(C3CC3)nc(C)c2c1C
InChIInChI=1S/C21H20N6O2S/c1-10-15-11(2)23-18(13-7-8-13)24-21(15)30-17(10)20(29)26-25-19(28)16-12(3)22-14-6-4-5-9-27(14)16/h4-6,9,13H,7-8H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyMFPAAHOSQAVPIS-UHFFFAOYSA-N
MW420.50 g/mol
LogP3.22
Rot. Bonds3

About 2-cyclopropyl-4,5-dimethyl-N'-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)thieno[2,3-d]pyrimidine-6-carbohydrazide

2-cyclopropyl-4,5-dimethyl-N'-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)thieno[2,3-d]pyrimidine-6-carbohydrazide (PubChem CID 24672221) has the molecular formula C21H20N6O2S and a molecular weight of 420.50 g/mol. Its IUPAC name is 2-cyclopropyl-4,5-dimethyl-N'-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)thieno[2,3-d]pyrimidine-6-carbohydrazide.

Molecular Properties

Compound Name2-cyclopropyl-4,5-dimethyl-N'-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)thieno[2,3-d]pyrimidine-6-carbohydrazide
PubChem CID24672221
Molecular FormulaC21H20N6O2S
Molecular Weight420.50 g/mol
Exact Mass420.14
IUPAC Name2-cyclopropyl-4,5-dimethyl-N'-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)thieno[2,3-d]pyrimidine-6-carbohydrazide
SMILESCc1nc2ccccn2c1C(=O)NNC(=O)c1sc2nc(C3CC3)nc(C)c2c1C
InChIInChI=1S/C21H20N6O2S/c1-10-15-11(2)23-18(13-7-8-13)24-21(15)30-17(10)20(29)26-25-19(28)16-12(3)22-14-6-4-5-9-27(14)16/h4-6,9,13H,7-8H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyMFPAAHOSQAVPIS-UHFFFAOYSA-N
XLogP3.22
TPSA101.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.50
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-4,5-dimethyl-N'-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)thieno[2,3-d]pyrimidine-6-carbohydrazide
CID 24628588
2-cyclopropyl-N'-(1H-indole-3-carbonyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbohydrazide
CID 24666705
2-cyclopropyl-N'-(3-ethyl-4-oxophthalazine-1-carbonyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbohydrazide
CID 32652838
2-cyclopropyl-4,5-dimethyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 46635047
2-cyclopropyl-4,5-dimethyl-N'-[(2S)-oxolane-2-carbonyl]thieno[2,3-d]pyrimidine-6-carbohydrazide
CID 39480750
2-cyclopropyl-4,5-dimethyl-N-(4-methylcyclohexyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 24665431
2-cyclopropyl-4,5-dimethyl-N-[(3-methylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 33283292
2-cyclopropyl-N-[1-(2-methoxyphenyl)ethyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 43051867
N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24659883
2-cyclopropyl-N-(3-methoxyphenyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24671862
2-cyclopropyl-N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbohydrazide
CID 30706839
2-cyclopropyl-4,5-dimethyl-N-(4-methyl-1,3-benzothiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 24659915

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4,5-dimethyl-N'-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)thieno[2,3-d]pyrimidine-6-carbohydrazide?
The IUPAC name of 2-cyclopropyl-4,5-dimethyl-N'-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)thieno[2,3-d]pyrimidine-6-carbohydrazide (CID 24672221) is 2-cyclopropyl-4,5-dimethyl-N'-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)thieno[2,3-d]pyrimidine-6-carbohydrazide.
What is the SMILES notation for 2-cyclopropyl-4,5-dimethyl-N'-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)thieno[2,3-d]pyrimidine-6-carbohydrazide?
The canonical SMILES for 2-cyclopropyl-4,5-dimethyl-N'-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)thieno[2,3-d]pyrimidine-6-carbohydrazide is Cc1nc2ccccn2c1C(=O)NNC(=O)c1sc2nc(C3CC3)nc(C)c2c1C.
What is the InChIKey of 2-cyclopropyl-4,5-dimethyl-N'-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)thieno[2,3-d]pyrimidine-6-carbohydrazide?
The InChIKey is MFPAAHOSQAVPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2S/c1-10-15-11(2)23-18(13-7-8-13)24-21(15)30-17(10)20(29)26-25-19(28)16-12(3)22-14-6-4-5-9-27(14)16/h4-6,9,13H,7-8H2,1-3H3,(H,25,28)(H,26,29).
What are the key properties of 2-cyclopropyl-4,5-dimethyl-N'-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)thieno[2,3-d]pyrimidine-6-carbohydrazide?
2-cyclopropyl-4,5-dimethyl-N'-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)thieno[2,3-d]pyrimidine-6-carbohydrazide has a molecular weight of 420.50 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4,5-dimethyl-N'-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)thieno[2,3-d]pyrimidine-6-carbohydrazide is sourced from PubChem (CID 24672221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).