N-[2-(2-methoxy-4-pyridinyl)ethyl]-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide

C25H26N6O3S — CID 137429458

IUPACN-[2-(2-methoxy-4-pyridinyl)ethyl]-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide
SMILESCOc1cc(CCN(C)C(=O)c2csc3nc(-c4ccccn4)nc(N4CCOCC4)c23)ccn1
InChIInChI=1S/C25H26N6O3S/c1-30(10-7-17-6-9-27-20(15-17)33-2)25(32)18-16-35-24-21(18)23(31-11-13-34-14-12-31)28-22(29-24)19-5-3-4-8-26-19/h3-6,8-9,15-16H,7,10-14H2,1-2H3
InChIKeyZNZGLSINCSLOKK-UHFFFAOYSA-N
MW490.59 g/mol
LogP3.31
Rot. Bonds7

About N-[2-(2-methoxy-4-pyridinyl)ethyl]-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide

N-[2-(2-methoxy-4-pyridinyl)ethyl]-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide (PubChem CID 137429458) has the molecular formula C25H26N6O3S and a molecular weight of 490.59 g/mol. Its IUPAC name is N-[2-(2-methoxy-4-pyridinyl)ethyl]-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxy-4-pyridinyl)ethyl]-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide
PubChem CID137429458
Molecular FormulaC25H26N6O3S
Molecular Weight490.59 g/mol
Exact Mass490.18
IUPAC NameN-[2-(2-methoxy-4-pyridinyl)ethyl]-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide
SMILESCOc1cc(CCN(C)C(=O)c2csc3nc(-c4ccccn4)nc(N4CCOCC4)c23)ccn1
InChIInChI=1S/C25H26N6O3S/c1-30(10-7-17-6-9-27-20(15-17)33-2)25(32)18-16-35-24-21(18)23(31-11-13-34-14-12-31)28-22(29-24)19-5-3-4-8-26-19/h3-6,8-9,15-16H,7,10-14H2,1-2H3
InChIKeyZNZGLSINCSLOKK-UHFFFAOYSA-N
XLogP3.31
TPSA93.57 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.59
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

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CID 53374988
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CID 58413236
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CID 58413259
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CID 58413262
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CID 58413275
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CID 58413298
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CID 58413314

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxy-4-pyridinyl)ethyl]-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-[2-(2-methoxy-4-pyridinyl)ethyl]-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide (CID 137429458) is N-[2-(2-methoxy-4-pyridinyl)ethyl]-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(2-methoxy-4-pyridinyl)ethyl]-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(2-methoxy-4-pyridinyl)ethyl]-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide is COc1cc(CCN(C)C(=O)c2csc3nc(-c4ccccn4)nc(N4CCOCC4)c23)ccn1.
What is the InChIKey of N-[2-(2-methoxy-4-pyridinyl)ethyl]-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is ZNZGLSINCSLOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O3S/c1-30(10-7-17-6-9-27-20(15-17)33-2)25(32)18-16-35-24-21(18)23(31-11-13-34-14-12-31)28-22(29-24)19-5-3-4-8-26-19/h3-6,8-9,15-16H,7,10-14H2,1-2H3.
What are the key properties of N-[2-(2-methoxy-4-pyridinyl)ethyl]-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide?
N-[2-(2-methoxy-4-pyridinyl)ethyl]-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 490.59 g/mol, XLogP of 3.31, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxy-4-pyridinyl)ethyl]-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 137429458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).