N-(4-cyanothiophen-3-yl)-5-(1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H17N7OS — CID 122516542

IUPACN-(4-cyanothiophen-3-yl)-5-(1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESN#Cc1cscc1NC(=O)c1cnn2ccc(N3CCCNCC3)nc12
InChIInChI=1S/C17H17N7OS/c18-8-12-10-26-11-14(12)21-17(25)13-9-20-24-6-2-15(22-16(13)24)23-5-1-3-19-4-7-23/h2,6,9-11,19H,1,3-5,7H2,(H,21,25)
InChIKeyPZLYKORFSREWMX-UHFFFAOYSA-N
MW367.44 g/mol
LogP1.71
Rot. Bonds3

About N-(4-cyanothiophen-3-yl)-5-(1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(4-cyanothiophen-3-yl)-5-(1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 122516542) has the molecular formula C17H17N7OS and a molecular weight of 367.44 g/mol. Its IUPAC name is N-(4-cyanothiophen-3-yl)-5-(1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyanothiophen-3-yl)-5-(1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID122516542
Molecular FormulaC17H17N7OS
Molecular Weight367.44 g/mol
Exact Mass367.12
IUPAC NameN-(4-cyanothiophen-3-yl)-5-(1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESN#Cc1cscc1NC(=O)c1cnn2ccc(N3CCCNCC3)nc12
InChIInChI=1S/C17H17N7OS/c18-8-12-10-26-11-14(12)21-17(25)13-9-20-24-6-2-15(22-16(13)24)23-5-1-3-19-4-7-23/h2,6,9-11,19H,1,3-5,7H2,(H,21,25)
InChIKeyPZLYKORFSREWMX-UHFFFAOYSA-N
XLogP1.71
TPSA98.35 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.44
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-(4-cyanothiophen-3-yl)-5-(1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide 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-(4-cyanothiophen-3-yl)-5-(1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(4-cyanothiophen-3-yl)-5-(1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 122516542) is N-(4-cyanothiophen-3-yl)-5-(1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(4-cyanothiophen-3-yl)-5-(1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(4-cyanothiophen-3-yl)-5-(1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is N#Cc1cscc1NC(=O)c1cnn2ccc(N3CCCNCC3)nc12.
What is the InChIKey of N-(4-cyanothiophen-3-yl)-5-(1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is PZLYKORFSREWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7OS/c18-8-12-10-26-11-14(12)21-17(25)13-9-20-24-6-2-15(22-16(13)24)23-5-1-3-19-4-7-23/h2,6,9-11,19H,1,3-5,7H2,(H,21,25).
What are the key properties of N-(4-cyanothiophen-3-yl)-5-(1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(4-cyanothiophen-3-yl)-5-(1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 367.44 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanothiophen-3-yl)-5-(1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 122516542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).