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

C27H23N7OS — CID 25265679

IUPAC2-phenyl-6-piperazin-1-yl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide
SMILESO=C(Nc1ccccc1-c1nc2cccnc2s1)c1cc(N2CCNCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C27H23N7OS/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)
InChIKeyBSZHKFDXIOGISY-UHFFFAOYSA-N
MW493.60 g/mol
LogP4.48
Rot. Bonds5

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

2-phenyl-6-piperazin-1-yl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide (PubChem CID 25265679) has the molecular formula C27H23N7OS and a molecular weight of 493.60 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.

Molecular Properties

Compound Name2-phenyl-6-piperazin-1-yl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide
PubChem CID25265679
Molecular FormulaC27H23N7OS
Molecular Weight493.60 g/mol
Exact Mass493.17
IUPAC Name2-phenyl-6-piperazin-1-yl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide
SMILESO=C(Nc1ccccc1-c1nc2cccnc2s1)c1cc(N2CCNCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C27H23N7OS/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)
InChIKeyBSZHKFDXIOGISY-UHFFFAOYSA-N
XLogP4.48
TPSA95.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.60
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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?
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 (CID 25265679) is 2-phenyl-6-piperazin-1-yl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide.
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?
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 is 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?
The InChIKey is BSZHKFDXIOGISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N7OS/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).
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?
2-phenyl-6-piperazin-1-yl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide has a molecular weight of 493.60 g/mol, XLogP of 4.48, 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 is sourced from PubChem (CID 25265679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).