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

C30H30ClN7O2S — CID 66867764

IUPAC6-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenyl-N-[2-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide;hydrochloride
SMILESCOCCN1CCN(c2cc(C(=O)Nc3ccccc3-c3nc4ccncc4s3)nc(-c3ccccc3)n2)CC1.Cl
InChIInChI=1S/C30H29N7O2S.ClH/c1-39-18-17-36-13-15-37(16-14-36)27-19-25(32-28(35-27)21-7-3-2-4-8-21)29(38)33-23-10-6-5-9-22(23)30-34-24-11-12-31-20-26(24)40-30;/h2-12,19-20H,13-18H2,1H3,(H,33,38);1H
InChIKeyHFSZWLZJUCTMBG-UHFFFAOYSA-N
MW588.14 g/mol
LogP5.26
Rot. Bonds8

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

6-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenyl-N-[2-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide;hydrochloride (PubChem CID 66867764) has the molecular formula C30H30ClN7O2S and a molecular weight of 588.14 g/mol. Its IUPAC name is 6-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenyl-N-[2-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name6-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenyl-N-[2-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide;hydrochloride
PubChem CID66867764
Molecular FormulaC30H30ClN7O2S
Molecular Weight588.14 g/mol
Exact Mass587.19
IUPAC Name6-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenyl-N-[2-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide;hydrochloride
SMILESCOCCN1CCN(c2cc(C(=O)Nc3ccccc3-c3nc4ccncc4s3)nc(-c3ccccc3)n2)CC1.Cl
InChIInChI=1S/C30H29N7O2S.ClH/c1-39-18-17-36-13-15-37(16-14-36)27-19-25(32-28(35-27)21-7-3-2-4-8-21)29(38)33-23-10-6-5-9-22(23)30-34-24-11-12-31-20-26(24)40-30;/h2-12,19-20H,13-18H2,1H3,(H,33,38);1H
InChIKeyHFSZWLZJUCTMBG-UHFFFAOYSA-N
XLogP5.26
TPSA96.37 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.14
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenyl-N-[2-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide;hydrochloride with MolForge

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Related Compounds

4-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide;hydrochloride
CID 66867968
2-phenyl-N-[2-(5-phenyl-1,3-thiazol-2-yl)phenyl]-6-piperazin-1-ylpyrimidine-4-carboxamide
CID 58148545
4-(2-bromoethoxy)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide;4-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide
CID 159288659
4-(4-butylpiperazin-1-yl)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide
CID 71013781
N-(2-methylphenyl)-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 112852671
2-phenyl-6-(pyrrolidin-1-ylmethyl)-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide
CID 42624112
6-(2-aminoethoxy)-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide
CID 58101513
6-[(1-ethylpiperidin-4-yl)amino]-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide
CID 42623129
6-phenyl-4-(4-propan-2-ylpiperazin-1-yl)-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide
CID 58101527
N-(2-acetylphenyl)-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide
CID 58148531
6-(3-chloro-5-isocyanophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide
CID 140828757
4-[bis(2-methoxyethyl)amino]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide
CID 58101547

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenyl-N-[2-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide;hydrochloride?
The IUPAC name of 6-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenyl-N-[2-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide;hydrochloride (CID 66867764) is 6-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenyl-N-[2-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 6-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenyl-N-[2-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide;hydrochloride?
The canonical SMILES for 6-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenyl-N-[2-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide;hydrochloride is COCCN1CCN(c2cc(C(=O)Nc3ccccc3-c3nc4ccncc4s3)nc(-c3ccccc3)n2)CC1.Cl.
What is the InChIKey of 6-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenyl-N-[2-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide;hydrochloride?
The InChIKey is HFSZWLZJUCTMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N7O2S.ClH/c1-39-18-17-36-13-15-37(16-14-36)27-19-25(32-28(35-27)21-7-3-2-4-8-21)29(38)33-23-10-6-5-9-22(23)30-34-24-11-12-31-20-26(24)40-30;/h2-12,19-20H,13-18H2,1H3,(H,33,38);1H.
What are the key properties of 6-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenyl-N-[2-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide;hydrochloride?
6-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenyl-N-[2-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide;hydrochloride has a molecular weight of 588.14 g/mol, XLogP of 5.26, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenyl-N-[2-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 66867764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).