N-(5-chloro-2,4-dimethoxyphenyl)-5-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide

C25H25ClN6O3S — CID 4651709

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-5-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1cc(OC)c(NC(=O)c2sc3ncnc(N4CCN(c5ccccn5)CC4)c3c2C)cc1Cl
InChIInChI=1S/C25H25ClN6O3S/c1-15-21-23(32-10-8-31(9-11-32)20-6-4-5-7-27-20)28-14-29-25(21)36-22(15)24(33)30-17-12-16(26)18(34-2)13-19(17)35-3/h4-7,12-14H,8-11H2,1-3H3,(H,30,33)
InChIKeyHBOVYZWORCEKTR-UHFFFAOYSA-N
MW525.03 g/mol
LogP4.64
Rot. Bonds6

About N-(5-chloro-2,4-dimethoxyphenyl)-5-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide

N-(5-chloro-2,4-dimethoxyphenyl)-5-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 4651709) has the molecular formula C25H25ClN6O3S and a molecular weight of 525.03 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-5-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-5-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID4651709
Molecular FormulaC25H25ClN6O3S
Molecular Weight525.03 g/mol
Exact Mass524.14
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-5-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1cc(OC)c(NC(=O)c2sc3ncnc(N4CCN(c5ccccn5)CC4)c3c2C)cc1Cl
InChIInChI=1S/C25H25ClN6O3S/c1-15-21-23(32-10-8-31(9-11-32)20-6-4-5-7-27-20)28-14-29-25(21)36-22(15)24(33)30-17-12-16(26)18(34-2)13-19(17)35-3/h4-7,12-14H,8-11H2,1-3H3,(H,30,33)
InChIKeyHBOVYZWORCEKTR-UHFFFAOYSA-N
XLogP4.64
TPSA92.71 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.03
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

5-methyl-N-(4-propan-2-ylphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 22330690
N-(2-methoxyphenyl)-2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 4604102
N-(2-methoxy-5-nitrophenyl)-5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 4155913
N-(2-methoxy-5-nitrophenyl)-2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 6615528
N-(3-methoxypropyl)-5-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 4604042
N-(3-chloro-4-methylphenyl)-2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 4608084
N-(5-chloro-2-methoxyphenyl)-5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 4116245
N-(2-fluorophenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 20970112
4-(4-ethylpiperazin-1-yl)-N-[(2-methoxyphenyl)methyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 20956833
N-(3-chloro-4-fluorophenyl)-5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 4151217
N-(3-chloro-4-methoxyphenyl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 30274478
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 20970127

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-5-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-5-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 4651709) is N-(5-chloro-2,4-dimethoxyphenyl)-5-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-5-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-5-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide is COc1cc(OC)c(NC(=O)c2sc3ncnc(N4CCN(c5ccccn5)CC4)c3c2C)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-5-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is HBOVYZWORCEKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN6O3S/c1-15-21-23(32-10-8-31(9-11-32)20-6-4-5-7-27-20)28-14-29-25(21)36-22(15)24(33)30-17-12-16(26)18(34-2)13-19(17)35-3/h4-7,12-14H,8-11H2,1-3H3,(H,30,33).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-5-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
N-(5-chloro-2,4-dimethoxyphenyl)-5-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 525.03 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-5-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 4651709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).