2-phenyl-6-piperazin-1-yl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide;hydrochloride

C27H24ClN7OS — CID 42624023

IUPAC2-phenyl-6-piperazin-1-yl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccccc1-c1nc2cccnc2s1)c1cc(N2CCNCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C27H23N7OS.ClH/c35-25(31-20-10-5-4-9-19(20)26-32-21-11-6-12-29-27(21)36-26)22-17-23(34-15-13-28-14-16-34)33-24(30-22)18-7-2-1-3-8-18;/h1-12,17,28H,13-16H2,(H,31,35);1H
InChIKeyYIWBHJODQRWLIS-UHFFFAOYSA-N
MW530.06 g/mol
LogP4.90
Rot. Bonds5

About 2-phenyl-6-piperazin-1-yl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide;hydrochloride

2-phenyl-6-piperazin-1-yl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide;hydrochloride (PubChem CID 42624023) has the molecular formula C27H24ClN7OS and a molecular weight of 530.06 g/mol. Its IUPAC name is 2-phenyl-6-piperazin-1-yl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-phenyl-6-piperazin-1-yl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide;hydrochloride
PubChem CID42624023
Molecular FormulaC27H24ClN7OS
Molecular Weight530.06 g/mol
Exact Mass529.15
IUPAC Name2-phenyl-6-piperazin-1-yl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccccc1-c1nc2cccnc2s1)c1cc(N2CCNCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C27H23N7OS.ClH/c35-25(31-20-10-5-4-9-19(20)26-32-21-11-6-12-29-27(21)36-26)22-17-23(34-15-13-28-14-16-34)33-24(30-22)18-7-2-1-3-8-18;/h1-12,17,28H,13-16H2,(H,31,35);1H
InChIKeyYIWBHJODQRWLIS-UHFFFAOYSA-N
XLogP4.90
TPSA95.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.06
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-phenyl-6-piperazin-1-yl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide;hydrochloride 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-phenyl-6-piperazin-1-yl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide;hydrochloride?
The IUPAC name of 2-phenyl-6-piperazin-1-yl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide;hydrochloride (CID 42624023) is 2-phenyl-6-piperazin-1-yl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-phenyl-6-piperazin-1-yl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide;hydrochloride?
The canonical SMILES for 2-phenyl-6-piperazin-1-yl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide;hydrochloride is Cl.O=C(Nc1ccccc1-c1nc2cccnc2s1)c1cc(N2CCNCC2)nc(-c2ccccc2)n1.
What is the InChIKey of 2-phenyl-6-piperazin-1-yl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide;hydrochloride?
The InChIKey is YIWBHJODQRWLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N7OS.ClH/c35-25(31-20-10-5-4-9-19(20)26-32-21-11-6-12-29-27(21)36-26)22-17-23(34-15-13-28-14-16-34)33-24(30-22)18-7-2-1-3-8-18;/h1-12,17,28H,13-16H2,(H,31,35);1H.
What are the key properties of 2-phenyl-6-piperazin-1-yl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide;hydrochloride?
2-phenyl-6-piperazin-1-yl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide;hydrochloride has a molecular weight of 530.06 g/mol, XLogP of 4.90, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-piperazin-1-yl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 42624023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).