N-ethyl-3-methyl-1-(2-methylpropyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thieno[3,2-d]pyrazole-5-carboxamide

C22H25N5O2S — CID 135788181

IUPACN-ethyl-3-methyl-1-(2-methylpropyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thieno[3,2-d]pyrazole-5-carboxamide
SMILESCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc2c(C)nn(CC(C)C)c2s1
InChIInChI=1S/C22H25N5O2S/c1-5-26(12-19-23-17-9-7-6-8-15(17)20(28)24-19)21(29)18-10-16-14(4)25-27(11-13(2)3)22(16)30-18/h6-10,13H,5,11-12H2,1-4H3,(H,23,24,28)
InChIKeyFWGIJBLFCKBGGP-UHFFFAOYSA-N
MW423.54 g/mol
LogP3.96
Rot. Bonds6

About N-ethyl-3-methyl-1-(2-methylpropyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thieno[3,2-d]pyrazole-5-carboxamide

N-ethyl-3-methyl-1-(2-methylpropyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 135788181) has the molecular formula C22H25N5O2S and a molecular weight of 423.54 g/mol. Its IUPAC name is N-ethyl-3-methyl-1-(2-methylpropyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-methyl-1-(2-methylpropyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID135788181
Molecular FormulaC22H25N5O2S
Molecular Weight423.54 g/mol
Exact Mass423.17
IUPAC NameN-ethyl-3-methyl-1-(2-methylpropyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thieno[3,2-d]pyrazole-5-carboxamide
SMILESCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc2c(C)nn(CC(C)C)c2s1
InChIInChI=1S/C22H25N5O2S/c1-5-26(12-19-23-17-9-7-6-8-15(17)20(28)24-19)21(29)18-10-16-14(4)25-27(11-13(2)3)22(16)30-18/h6-10,13H,5,11-12H2,1-4H3,(H,23,24,28)
InChIKeyFWGIJBLFCKBGGP-UHFFFAOYSA-N
XLogP3.96
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-ethyl-3-methyl-1-(2-methylpropyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thieno[3,2-d]pyrazole-5-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

1-[(4-chlorophenyl)methyl]-N-ethyl-3-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 137309628
N-ethyl-3-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-benzothiophene-2-carboxamide
CID 137281094
N-ethyl-1,3,5-trimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrazole-4-carboxamide
CID 137282497
3-ethoxy-N-ethyl-4-(2-methylpropoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135821138
1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-propan-2-ylurea
CID 135680669
N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1H-indole-2-carboxamide
CID 135821179
3-amino-N-ethyl-2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 137125127
2-cyclopropyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoline-4-carboxamide
CID 137317997
4-amino-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pentanamide
CID 137100232
5-ethyl-N-(2-methoxyethyl)-4-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide
CID 135665198
N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 135702756
N-ethyl-4,6-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1H-indole-2-carboxamide
CID 137287070

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-1-(2-methylpropyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-ethyl-3-methyl-1-(2-methylpropyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thieno[3,2-d]pyrazole-5-carboxamide (CID 135788181) is N-ethyl-3-methyl-1-(2-methylpropyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-ethyl-3-methyl-1-(2-methylpropyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-ethyl-3-methyl-1-(2-methylpropyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thieno[3,2-d]pyrazole-5-carboxamide is CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc2c(C)nn(CC(C)C)c2s1.
What is the InChIKey of N-ethyl-3-methyl-1-(2-methylpropyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is FWGIJBLFCKBGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2S/c1-5-26(12-19-23-17-9-7-6-8-15(17)20(28)24-19)21(29)18-10-16-14(4)25-27(11-13(2)3)22(16)30-18/h6-10,13H,5,11-12H2,1-4H3,(H,23,24,28).
What are the key properties of N-ethyl-3-methyl-1-(2-methylpropyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thieno[3,2-d]pyrazole-5-carboxamide?
N-ethyl-3-methyl-1-(2-methylpropyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 423.54 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-1-(2-methylpropyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 135788181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).