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

C25H27N7O3S — CID 42624111

IUPAC2-methoxy-6-[4-(2-methoxyethyl)piperazin-1-yl]-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide
SMILESCOCCN1CCN(c2cc(C(=O)Nc3ccccc3-c3nc4cccnc4s3)nc(OC)n2)CC1
InChIInChI=1S/C25H27N7O3S/c1-34-15-14-31-10-12-32(13-11-31)21-16-20(29-25(30-21)35-2)22(33)27-18-7-4-3-6-17(18)23-28-19-8-5-9-26-24(19)36-23/h3-9,16H,10-15H2,1-2H3,(H,27,33)
InChIKeyWOEZMMWECDDIQY-UHFFFAOYSA-N
MW505.60 g/mol
LogP3.18
Rot. Bonds8

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

2-methoxy-6-[4-(2-methoxyethyl)piperazin-1-yl]-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide (PubChem CID 42624111) has the molecular formula C25H27N7O3S and a molecular weight of 505.60 g/mol. Its IUPAC name is 2-methoxy-6-[4-(2-methoxyethyl)piperazin-1-yl]-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methoxy-6-[4-(2-methoxyethyl)piperazin-1-yl]-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide
PubChem CID42624111
Molecular FormulaC25H27N7O3S
Molecular Weight505.60 g/mol
Exact Mass505.19
IUPAC Name2-methoxy-6-[4-(2-methoxyethyl)piperazin-1-yl]-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide
SMILESCOCCN1CCN(c2cc(C(=O)Nc3ccccc3-c3nc4cccnc4s3)nc(OC)n2)CC1
InChIInChI=1S/C25H27N7O3S/c1-34-15-14-31-10-12-32(13-11-31)21-16-20(29-25(30-21)35-2)22(33)27-18-7-4-3-6-17(18)23-28-19-8-5-9-26-24(19)36-23/h3-9,16H,10-15H2,1-2H3,(H,27,33)
InChIKeyWOEZMMWECDDIQY-UHFFFAOYSA-N
XLogP3.18
TPSA105.60 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.60
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[4-(2-methoxyethyl)piperazin-1-yl]-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-methoxy-6-[4-(2-methoxyethyl)piperazin-1-yl]-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide (CID 42624111) is 2-methoxy-6-[4-(2-methoxyethyl)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-methoxy-6-[4-(2-methoxyethyl)piperazin-1-yl]-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-methoxy-6-[4-(2-methoxyethyl)piperazin-1-yl]-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide is COCCN1CCN(c2cc(C(=O)Nc3ccccc3-c3nc4cccnc4s3)nc(OC)n2)CC1.
What is the InChIKey of 2-methoxy-6-[4-(2-methoxyethyl)piperazin-1-yl]-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide?
The InChIKey is WOEZMMWECDDIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O3S/c1-34-15-14-31-10-12-32(13-11-31)21-16-20(29-25(30-21)35-2)22(33)27-18-7-4-3-6-17(18)23-28-19-8-5-9-26-24(19)36-23/h3-9,16H,10-15H2,1-2H3,(H,27,33).
What are the key properties of 2-methoxy-6-[4-(2-methoxyethyl)piperazin-1-yl]-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide?
2-methoxy-6-[4-(2-methoxyethyl)piperazin-1-yl]-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide has a molecular weight of 505.60 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[4-(2-methoxyethyl)piperazin-1-yl]-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 42624111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).