N-[2-methoxy-5-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-methylbutanamide

C23H22N4O3S — CID 44590640

IUPACN-[2-methoxy-5-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-methylbutanamide
SMILESCOc1ccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)cc1NC(=O)CC(C)C
InChIInChI=1S/C23H22N4O3S/c1-14(2)11-21(28)26-17-12-15(6-7-19(17)30-3)18-8-9-24-23-16(13-25-27(18)23)22(29)20-5-4-10-31-20/h4-10,12-14H,11H2,1-3H3,(H,26,28)
InChIKeyVACUYRWHUHUDPM-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.68
Rot. Bonds7

About N-[2-methoxy-5-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-methylbutanamide

N-[2-methoxy-5-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-methylbutanamide (PubChem CID 44590640) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is N-[2-methoxy-5-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-methoxy-5-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-methylbutanamide
PubChem CID44590640
Molecular FormulaC23H22N4O3S
Molecular Weight434.52 g/mol
Exact Mass434.14
IUPAC NameN-[2-methoxy-5-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-methylbutanamide
SMILESCOc1ccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)cc1NC(=O)CC(C)C
InChIInChI=1S/C23H22N4O3S/c1-14(2)11-21(28)26-17-12-15(6-7-19(17)30-3)18-8-9-24-23-16(13-25-27(18)23)22(29)20-5-4-10-31-20/h4-10,12-14H,11H2,1-3H3,(H,26,28)
InChIKeyVACUYRWHUHUDPM-UHFFFAOYSA-N
XLogP4.68
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-methoxy-5-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-methylbutanamide 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 N-[2-methoxy-5-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-methylbutanamide?
The IUPAC name of N-[2-methoxy-5-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-methylbutanamide (CID 44590640) is N-[2-methoxy-5-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-methylbutanamide.
What is the SMILES notation for N-[2-methoxy-5-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-methylbutanamide?
The canonical SMILES for N-[2-methoxy-5-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-methylbutanamide is COc1ccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)cc1NC(=O)CC(C)C.
What is the InChIKey of N-[2-methoxy-5-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-methylbutanamide?
The InChIKey is VACUYRWHUHUDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S/c1-14(2)11-21(28)26-17-12-15(6-7-19(17)30-3)18-8-9-24-23-16(13-25-27(18)23)22(29)20-5-4-10-31-20/h4-10,12-14H,11H2,1-3H3,(H,26,28).
What are the key properties of N-[2-methoxy-5-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-methylbutanamide?
N-[2-methoxy-5-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-methylbutanamide has a molecular weight of 434.52 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-methylbutanamide is sourced from PubChem (CID 44590640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).