N-prop-2-ynyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]cyclopropanecarboxamide

C24H18N4O2S — CID 86603960

IUPACN-prop-2-ynyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]cyclopropanecarboxamide
SMILESC#CCN(C(=O)C1CC1)c1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1
InChIInChI=1S/C24H18N4O2S/c1-2-12-27(24(30)16-8-9-16)18-6-3-5-17(14-18)20-10-11-25-23-19(15-26-28(20)23)22(29)21-7-4-13-31-21/h1,3-7,10-11,13-16H,8-9,12H2
InChIKeyCYJWTSOWOZXFJA-UHFFFAOYSA-N
MW426.50 g/mol
LogP4.07
Rot. Bonds6

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

N-prop-2-ynyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]cyclopropanecarboxamide (PubChem CID 86603960) has the molecular formula C24H18N4O2S and a molecular weight of 426.50 g/mol. Its IUPAC name is N-prop-2-ynyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-prop-2-ynyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]cyclopropanecarboxamide
PubChem CID86603960
Molecular FormulaC24H18N4O2S
Molecular Weight426.50 g/mol
Exact Mass426.12
IUPAC NameN-prop-2-ynyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]cyclopropanecarboxamide
SMILESC#CCN(C(=O)C1CC1)c1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1
InChIInChI=1S/C24H18N4O2S/c1-2-12-27(24(30)16-8-9-16)18-6-3-5-17(14-18)20-10-11-25-23-19(15-26-28(20)23)22(29)21-7-4-13-31-21/h1,3-7,10-11,13-16H,8-9,12H2
InChIKeyCYJWTSOWOZXFJA-UHFFFAOYSA-N
XLogP4.07
TPSA67.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-prop-2-ynyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]cyclopropanecarboxamide 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-prop-2-ynyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-prop-2-ynyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]cyclopropanecarboxamide (CID 86603960) is N-prop-2-ynyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-prop-2-ynyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-prop-2-ynyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]cyclopropanecarboxamide is C#CCN(C(=O)C1CC1)c1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1.
What is the InChIKey of N-prop-2-ynyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]cyclopropanecarboxamide?
The InChIKey is CYJWTSOWOZXFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O2S/c1-2-12-27(24(30)16-8-9-16)18-6-3-5-17(14-18)20-10-11-25-23-19(15-26-28(20)23)22(29)21-7-4-13-31-21/h1,3-7,10-11,13-16H,8-9,12H2.
What are the key properties of N-prop-2-ynyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]cyclopropanecarboxamide?
N-prop-2-ynyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]cyclopropanecarboxamide has a molecular weight of 426.50 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 86603960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).