7-(2-methoxyphenyl)-2-[[6-(1-methylpiperidin-4-yl)-4-propan-2-yloxy-3-pyridinyl]amino]thieno[3,2-d]pyrimidine-6-carboxamide

C28H32N6O3S — CID 71745386

IUPAC7-(2-methoxyphenyl)-2-[[6-(1-methylpiperidin-4-yl)-4-propan-2-yloxy-3-pyridinyl]amino]thieno[3,2-d]pyrimidine-6-carboxamide
SMILESCOc1ccccc1-c1c(C(N)=O)sc2cnc(Nc3cnc(C4CCN(C)CC4)cc3OC(C)C)nc12
InChIInChI=1S/C28H32N6O3S/c1-16(2)37-22-13-19(17-9-11-34(3)12-10-17)30-14-20(22)32-28-31-15-23-25(33-28)24(26(38-23)27(29)35)18-7-5-6-8-21(18)36-4/h5-8,13-17H,9-12H2,1-4H3,(H2,29,35)(H,31,32,33)
InChIKeyISLMPOLNYSOVQB-UHFFFAOYSA-N
MW532.67 g/mol
LogP5.20
Rot. Bonds8

About 7-(2-methoxyphenyl)-2-[[6-(1-methylpiperidin-4-yl)-4-propan-2-yloxy-3-pyridinyl]amino]thieno[3,2-d]pyrimidine-6-carboxamide

7-(2-methoxyphenyl)-2-[[6-(1-methylpiperidin-4-yl)-4-propan-2-yloxy-3-pyridinyl]amino]thieno[3,2-d]pyrimidine-6-carboxamide (PubChem CID 71745386) has the molecular formula C28H32N6O3S and a molecular weight of 532.67 g/mol. Its IUPAC name is 7-(2-methoxyphenyl)-2-[[6-(1-methylpiperidin-4-yl)-4-propan-2-yloxy-3-pyridinyl]amino]thieno[3,2-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-(2-methoxyphenyl)-2-[[6-(1-methylpiperidin-4-yl)-4-propan-2-yloxy-3-pyridinyl]amino]thieno[3,2-d]pyrimidine-6-carboxamide
PubChem CID71745386
Molecular FormulaC28H32N6O3S
Molecular Weight532.67 g/mol
Exact Mass532.23
IUPAC Name7-(2-methoxyphenyl)-2-[[6-(1-methylpiperidin-4-yl)-4-propan-2-yloxy-3-pyridinyl]amino]thieno[3,2-d]pyrimidine-6-carboxamide
SMILESCOc1ccccc1-c1c(C(N)=O)sc2cnc(Nc3cnc(C4CCN(C)CC4)cc3OC(C)C)nc12
InChIInChI=1S/C28H32N6O3S/c1-16(2)37-22-13-19(17-9-11-34(3)12-10-17)30-14-20(22)32-28-31-15-23-25(33-28)24(26(38-23)27(29)35)18-7-5-6-8-21(18)36-4/h5-8,13-17H,9-12H2,1-4H3,(H2,29,35)(H,31,32,33)
InChIKeyISLMPOLNYSOVQB-UHFFFAOYSA-N
XLogP5.20
TPSA115.49 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.67
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyphenyl)-2-[[6-(1-methylpiperidin-4-yl)-4-propan-2-yloxy-3-pyridinyl]amino]thieno[3,2-d]pyrimidine-6-carboxamide?
The IUPAC name of 7-(2-methoxyphenyl)-2-[[6-(1-methylpiperidin-4-yl)-4-propan-2-yloxy-3-pyridinyl]amino]thieno[3,2-d]pyrimidine-6-carboxamide (CID 71745386) is 7-(2-methoxyphenyl)-2-[[6-(1-methylpiperidin-4-yl)-4-propan-2-yloxy-3-pyridinyl]amino]thieno[3,2-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-(2-methoxyphenyl)-2-[[6-(1-methylpiperidin-4-yl)-4-propan-2-yloxy-3-pyridinyl]amino]thieno[3,2-d]pyrimidine-6-carboxamide?
The canonical SMILES for 7-(2-methoxyphenyl)-2-[[6-(1-methylpiperidin-4-yl)-4-propan-2-yloxy-3-pyridinyl]amino]thieno[3,2-d]pyrimidine-6-carboxamide is COc1ccccc1-c1c(C(N)=O)sc2cnc(Nc3cnc(C4CCN(C)CC4)cc3OC(C)C)nc12.
What is the InChIKey of 7-(2-methoxyphenyl)-2-[[6-(1-methylpiperidin-4-yl)-4-propan-2-yloxy-3-pyridinyl]amino]thieno[3,2-d]pyrimidine-6-carboxamide?
The InChIKey is ISLMPOLNYSOVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O3S/c1-16(2)37-22-13-19(17-9-11-34(3)12-10-17)30-14-20(22)32-28-31-15-23-25(33-28)24(26(38-23)27(29)35)18-7-5-6-8-21(18)36-4/h5-8,13-17H,9-12H2,1-4H3,(H2,29,35)(H,31,32,33).
What are the key properties of 7-(2-methoxyphenyl)-2-[[6-(1-methylpiperidin-4-yl)-4-propan-2-yloxy-3-pyridinyl]amino]thieno[3,2-d]pyrimidine-6-carboxamide?
7-(2-methoxyphenyl)-2-[[6-(1-methylpiperidin-4-yl)-4-propan-2-yloxy-3-pyridinyl]amino]thieno[3,2-d]pyrimidine-6-carboxamide has a molecular weight of 532.67 g/mol, XLogP of 5.20, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyphenyl)-2-[[6-(1-methylpiperidin-4-yl)-4-propan-2-yloxy-3-pyridinyl]amino]thieno[3,2-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 71745386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).