2-cyclopropyl-N'-(1H-indole-3-carbonyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbohydrazide

C21H19N5O2S — CID 24666705

IUPAC2-cyclopropyl-N'-(1H-indole-3-carbonyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbohydrazide
SMILESCc1nc(C2CC2)nc2sc(C(=O)NNC(=O)c3c[nH]c4ccccc34)c(C)c12
InChIInChI=1S/C21H19N5O2S/c1-10-16-11(2)23-18(12-7-8-12)24-21(16)29-17(10)20(28)26-25-19(27)14-9-22-15-6-4-3-5-13(14)15/h3-6,9,12,22H,7-8H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyOYQYQKPAIBAAOY-UHFFFAOYSA-N
MW405.48 g/mol
LogP3.74
Rot. Bonds3

About 2-cyclopropyl-N'-(1H-indole-3-carbonyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbohydrazide

2-cyclopropyl-N'-(1H-indole-3-carbonyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbohydrazide (PubChem CID 24666705) has the molecular formula C21H19N5O2S and a molecular weight of 405.48 g/mol. Its IUPAC name is 2-cyclopropyl-N'-(1H-indole-3-carbonyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbohydrazide.

Molecular Properties

Compound Name2-cyclopropyl-N'-(1H-indole-3-carbonyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbohydrazide
PubChem CID24666705
Molecular FormulaC21H19N5O2S
Molecular Weight405.48 g/mol
Exact Mass405.13
IUPAC Name2-cyclopropyl-N'-(1H-indole-3-carbonyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbohydrazide
SMILESCc1nc(C2CC2)nc2sc(C(=O)NNC(=O)c3c[nH]c4ccccc34)c(C)c12
InChIInChI=1S/C21H19N5O2S/c1-10-16-11(2)23-18(12-7-8-12)24-21(16)29-17(10)20(28)26-25-19(27)14-9-22-15-6-4-3-5-13(14)15/h3-6,9,12,22H,7-8H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyOYQYQKPAIBAAOY-UHFFFAOYSA-N
XLogP3.74
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-cyclopropyl-N'-(1H-indole-3-carbonyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbohydrazide with MolForge

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Related Compounds

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-(4-chlorophenyl)-N'-(1H-indole-3-carbonyl)-4-methyl-1,3-thiazole-5-carbohydrazide
CID 24513912
2-(4-ethylphenyl)-N'-(1H-indole-3-carbonyl)-4-methyl-1,3-thiazole-5-carbohydrazide
CID 24513901
2-cyclopropyl-N-[1-(2-methoxyphenyl)ethyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 43051867
2-cyclopropyl-4,5-dimethyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55901633
2-cyclopropyl-4,5-dimethyl-N-(4-methyl-1,3-benzothiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 24659915
2-cyclopropyl-N-(6-methoxy-3-pyridinyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 46539036
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 30706996
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-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 35256649
N-[2-(3-chlorophenyl)ethyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 30706606

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N'-(1H-indole-3-carbonyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbohydrazide?
The IUPAC name of 2-cyclopropyl-N'-(1H-indole-3-carbonyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbohydrazide (CID 24666705) is 2-cyclopropyl-N'-(1H-indole-3-carbonyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbohydrazide.
What is the SMILES notation for 2-cyclopropyl-N'-(1H-indole-3-carbonyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbohydrazide?
The canonical SMILES for 2-cyclopropyl-N'-(1H-indole-3-carbonyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbohydrazide is Cc1nc(C2CC2)nc2sc(C(=O)NNC(=O)c3c[nH]c4ccccc34)c(C)c12.
What is the InChIKey of 2-cyclopropyl-N'-(1H-indole-3-carbonyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbohydrazide?
The InChIKey is OYQYQKPAIBAAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2S/c1-10-16-11(2)23-18(12-7-8-12)24-21(16)29-17(10)20(28)26-25-19(27)14-9-22-15-6-4-3-5-13(14)15/h3-6,9,12,22H,7-8H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 2-cyclopropyl-N'-(1H-indole-3-carbonyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbohydrazide?
2-cyclopropyl-N'-(1H-indole-3-carbonyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbohydrazide has a molecular weight of 405.48 g/mol, XLogP of 3.74, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N'-(1H-indole-3-carbonyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbohydrazide is sourced from PubChem (CID 24666705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).