2-methyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]pyrazolo[1,5-a]quinazolin-5-amine

C18H18N4S — CID 95068261

IUPAC2-methyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]pyrazolo[1,5-a]quinazolin-5-amine
SMILESCc1cc2nc(N[C@@H](C)c3ccc(C)s3)c3ccccc3n2n1
InChIInChI=1S/C18H18N4S/c1-11-10-17-20-18(19-13(3)16-9-8-12(2)23-16)14-6-4-5-7-15(14)22(17)21-11/h4-10,13H,1-3H3,(H,19,20)/t13-/m0/s1
InChIKeyWWBULOXORQTLRX-ZDUSSCGKSA-N
MW322.44 g/mol
LogP4.73
Rot. Bonds3

About 2-methyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]pyrazolo[1,5-a]quinazolin-5-amine

2-methyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]pyrazolo[1,5-a]quinazolin-5-amine (PubChem CID 95068261) has the molecular formula C18H18N4S and a molecular weight of 322.44 g/mol. Its IUPAC name is 2-methyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]pyrazolo[1,5-a]quinazolin-5-amine.

Molecular Properties

Compound Name2-methyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]pyrazolo[1,5-a]quinazolin-5-amine
PubChem CID95068261
Molecular FormulaC18H18N4S
Molecular Weight322.44 g/mol
Exact Mass322.13
IUPAC Name2-methyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]pyrazolo[1,5-a]quinazolin-5-amine
SMILESCc1cc2nc(N[C@@H](C)c3ccc(C)s3)c3ccccc3n2n1
InChIInChI=1S/C18H18N4S/c1-11-10-17-20-18(19-13(3)16-9-8-12(2)23-16)14-6-4-5-7-15(14)22(17)21-11/h4-10,13H,1-3H3,(H,19,20)/t13-/m0/s1
InChIKeyWWBULOXORQTLRX-ZDUSSCGKSA-N
XLogP4.73
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.44
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]pyrazolo[1,5-a]quinazolin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]pyrazolo[1,5-a]quinazolin-5-amine?
The IUPAC name of 2-methyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]pyrazolo[1,5-a]quinazolin-5-amine (CID 95068261) is 2-methyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]pyrazolo[1,5-a]quinazolin-5-amine.
What is the SMILES notation for 2-methyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]pyrazolo[1,5-a]quinazolin-5-amine?
The canonical SMILES for 2-methyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]pyrazolo[1,5-a]quinazolin-5-amine is Cc1cc2nc(N[C@@H](C)c3ccc(C)s3)c3ccccc3n2n1.
What is the InChIKey of 2-methyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]pyrazolo[1,5-a]quinazolin-5-amine?
The InChIKey is WWBULOXORQTLRX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H18N4S/c1-11-10-17-20-18(19-13(3)16-9-8-12(2)23-16)14-6-4-5-7-15(14)22(17)21-11/h4-10,13H,1-3H3,(H,19,20)/t13-/m0/s1.
What are the key properties of 2-methyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]pyrazolo[1,5-a]quinazolin-5-amine?
2-methyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]pyrazolo[1,5-a]quinazolin-5-amine has a molecular weight of 322.44 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]pyrazolo[1,5-a]quinazolin-5-amine is sourced from PubChem (CID 95068261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).