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

C24H24N6O3S — CID 137429607

IUPACN-[2-(5-methoxy-3-pyridinyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide
SMILESCOc1cncc(CCNC(=O)c2csc3nc(-c4ccccn4)nc(N4CCOCC4)c23)c1
InChIInChI=1S/C24H24N6O3S/c1-32-17-12-16(13-25-14-17)5-7-27-23(31)18-15-34-24-20(18)22(30-8-10-33-11-9-30)28-21(29-24)19-4-2-3-6-26-19/h2-4,6,12-15H,5,7-11H2,1H3,(H,27,31)
InChIKeyJHLXYWBYLKXRIX-UHFFFAOYSA-N
MW476.56 g/mol
LogP2.97
Rot. Bonds7

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

N-[2-(5-methoxy-3-pyridinyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide (PubChem CID 137429607) has the molecular formula C24H24N6O3S and a molecular weight of 476.56 g/mol. Its IUPAC name is N-[2-(5-methoxy-3-pyridinyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(5-methoxy-3-pyridinyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide
PubChem CID137429607
Molecular FormulaC24H24N6O3S
Molecular Weight476.56 g/mol
Exact Mass476.16
IUPAC NameN-[2-(5-methoxy-3-pyridinyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide
SMILESCOc1cncc(CCNC(=O)c2csc3nc(-c4ccccn4)nc(N4CCOCC4)c23)c1
InChIInChI=1S/C24H24N6O3S/c1-32-17-12-16(13-25-14-17)5-7-27-23(31)18-15-34-24-20(18)22(30-8-10-33-11-9-30)28-21(29-24)19-4-2-3-6-26-19/h2-4,6,12-15H,5,7-11H2,1H3,(H,27,31)
InChIKeyJHLXYWBYLKXRIX-UHFFFAOYSA-N
XLogP2.97
TPSA102.36 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methoxy-3-pyridinyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-[2-(5-methoxy-3-pyridinyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide (CID 137429607) is N-[2-(5-methoxy-3-pyridinyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(5-methoxy-3-pyridinyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(5-methoxy-3-pyridinyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide is COc1cncc(CCNC(=O)c2csc3nc(-c4ccccn4)nc(N4CCOCC4)c23)c1.
What is the InChIKey of N-[2-(5-methoxy-3-pyridinyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is JHLXYWBYLKXRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3S/c1-32-17-12-16(13-25-14-17)5-7-27-23(31)18-15-34-24-20(18)22(30-8-10-33-11-9-30)28-21(29-24)19-4-2-3-6-26-19/h2-4,6,12-15H,5,7-11H2,1H3,(H,27,31).
What are the key properties of N-[2-(5-methoxy-3-pyridinyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide?
N-[2-(5-methoxy-3-pyridinyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 476.56 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methoxy-3-pyridinyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 137429607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).