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

C26H28N6OS — CID 22330690

IUPAC5-methyl-N-(4-propan-2-ylphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)Nc2ccc(C(C)C)cc2)sc2ncnc(N3CCN(c4ccccn4)CC3)c12
InChIInChI=1S/C26H28N6OS/c1-17(2)19-7-9-20(10-8-19)30-25(33)23-18(3)22-24(28-16-29-26(22)34-23)32-14-12-31(13-15-32)21-6-4-5-11-27-21/h4-11,16-17H,12-15H2,1-3H3,(H,30,33)
InChIKeySEEFOICCACBLLO-UHFFFAOYSA-N
MW472.62 g/mol
LogP5.10
Rot. Bonds5

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

5-methyl-N-(4-propan-2-ylphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 22330690) has the molecular formula C26H28N6OS and a molecular weight of 472.62 g/mol. Its IUPAC name is 5-methyl-N-(4-propan-2-ylphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(4-propan-2-ylphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID22330690
Molecular FormulaC26H28N6OS
Molecular Weight472.62 g/mol
Exact Mass472.20
IUPAC Name5-methyl-N-(4-propan-2-ylphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)Nc2ccc(C(C)C)cc2)sc2ncnc(N3CCN(c4ccccn4)CC3)c12
InChIInChI=1S/C26H28N6OS/c1-17(2)19-7-9-20(10-8-19)30-25(33)23-18(3)22-24(28-16-29-26(22)34-23)32-14-12-31(13-15-32)21-6-4-5-11-27-21/h4-11,16-17H,12-15H2,1-3H3,(H,30,33)
InChIKeySEEFOICCACBLLO-UHFFFAOYSA-N
XLogP5.10
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.62
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(4-methoxyphenyl)piperazin-1-yl]-5-methyl-N-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 22330642
N-(5-chloro-2,4-dimethoxyphenyl)-5-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 4651709
N-(3-methoxypropyl)-5-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 4604042
N-(4-fluorophenyl)-5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 46344605
N-(3-chloro-4-methylphenyl)-2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 4608084
6-methyl-4-piperidin-1-yl-N-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidine-5-carboxamide
CID 50847370
N-(3-chloro-4-fluorophenyl)-5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 4151217
N-(4-fluorophenyl)-5-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 46344796
N-(4-ethoxyphenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 4150022
N-(4-propan-2-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 17450770
ethyl 4-[[4-(azepan-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino]benzoate
CID 46363780
N-(2-fluorophenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 20970112

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(4-propan-2-ylphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-methyl-N-(4-propan-2-ylphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 22330690) is 5-methyl-N-(4-propan-2-ylphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-methyl-N-(4-propan-2-ylphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-methyl-N-(4-propan-2-ylphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(=O)Nc2ccc(C(C)C)cc2)sc2ncnc(N3CCN(c4ccccn4)CC3)c12.
What is the InChIKey of 5-methyl-N-(4-propan-2-ylphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is SEEFOICCACBLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6OS/c1-17(2)19-7-9-20(10-8-19)30-25(33)23-18(3)22-24(28-16-29-26(22)34-23)32-14-12-31(13-15-32)21-6-4-5-11-27-21/h4-11,16-17H,12-15H2,1-3H3,(H,30,33).
What are the key properties of 5-methyl-N-(4-propan-2-ylphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
5-methyl-N-(4-propan-2-ylphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 472.62 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(4-propan-2-ylphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 22330690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).