4-[5-[3-(2-methyl-4-pyridinyl)pyrazol-1-yl]-2-(morpholin-4-ylmethyl)thieno[3,2-b]pyridin-7-yl]morpholine

C25H28N6O2S — CID 169032693

IUPAC4-[5-[3-(2-methyl-4-pyridinyl)pyrazol-1-yl]-2-(morpholin-4-ylmethyl)thieno[3,2-b]pyridin-7-yl]morpholine
SMILESCc1cc(-c2ccn(-c3cc(N4CCOCC4)c4sc(CN5CCOCC5)cc4n3)n2)ccn1
InChIInChI=1S/C25H28N6O2S/c1-18-14-19(2-4-26-18)21-3-5-31(28-21)24-16-23(30-8-12-33-13-9-30)25-22(27-24)15-20(34-25)17-29-6-10-32-11-7-29/h2-5,14-16H,6-13,17H2,1H3
InChIKeySBJSRHPOZXAASI-UHFFFAOYSA-N
MW476.61 g/mol
LogP3.52
Rot. Bonds5

About 4-[5-[3-(2-methyl-4-pyridinyl)pyrazol-1-yl]-2-(morpholin-4-ylmethyl)thieno[3,2-b]pyridin-7-yl]morpholine

4-[5-[3-(2-methyl-4-pyridinyl)pyrazol-1-yl]-2-(morpholin-4-ylmethyl)thieno[3,2-b]pyridin-7-yl]morpholine (PubChem CID 169032693) has the molecular formula C25H28N6O2S and a molecular weight of 476.61 g/mol. Its IUPAC name is 4-[5-[3-(2-methyl-4-pyridinyl)pyrazol-1-yl]-2-(morpholin-4-ylmethyl)thieno[3,2-b]pyridin-7-yl]morpholine.

Molecular Properties

Compound Name4-[5-[3-(2-methyl-4-pyridinyl)pyrazol-1-yl]-2-(morpholin-4-ylmethyl)thieno[3,2-b]pyridin-7-yl]morpholine
PubChem CID169032693
Molecular FormulaC25H28N6O2S
Molecular Weight476.61 g/mol
Exact Mass476.20
IUPAC Name4-[5-[3-(2-methyl-4-pyridinyl)pyrazol-1-yl]-2-(morpholin-4-ylmethyl)thieno[3,2-b]pyridin-7-yl]morpholine
SMILESCc1cc(-c2ccn(-c3cc(N4CCOCC4)c4sc(CN5CCOCC5)cc4n3)n2)ccn1
InChIInChI=1S/C25H28N6O2S/c1-18-14-19(2-4-26-18)21-3-5-31(28-21)24-16-23(30-8-12-33-13-9-30)25-22(27-24)15-20(34-25)17-29-6-10-32-11-7-29/h2-5,14-16H,6-13,17H2,1H3
InChIKeySBJSRHPOZXAASI-UHFFFAOYSA-N
XLogP3.52
TPSA68.54 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.61
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-(2-methyl-4-pyridinyl)pyrazol-1-yl]-2-(morpholin-4-ylmethyl)thieno[3,2-b]pyridin-7-yl]morpholine?
The IUPAC name of 4-[5-[3-(2-methyl-4-pyridinyl)pyrazol-1-yl]-2-(morpholin-4-ylmethyl)thieno[3,2-b]pyridin-7-yl]morpholine (CID 169032693) is 4-[5-[3-(2-methyl-4-pyridinyl)pyrazol-1-yl]-2-(morpholin-4-ylmethyl)thieno[3,2-b]pyridin-7-yl]morpholine.
What is the SMILES notation for 4-[5-[3-(2-methyl-4-pyridinyl)pyrazol-1-yl]-2-(morpholin-4-ylmethyl)thieno[3,2-b]pyridin-7-yl]morpholine?
The canonical SMILES for 4-[5-[3-(2-methyl-4-pyridinyl)pyrazol-1-yl]-2-(morpholin-4-ylmethyl)thieno[3,2-b]pyridin-7-yl]morpholine is Cc1cc(-c2ccn(-c3cc(N4CCOCC4)c4sc(CN5CCOCC5)cc4n3)n2)ccn1.
What is the InChIKey of 4-[5-[3-(2-methyl-4-pyridinyl)pyrazol-1-yl]-2-(morpholin-4-ylmethyl)thieno[3,2-b]pyridin-7-yl]morpholine?
The InChIKey is SBJSRHPOZXAASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2S/c1-18-14-19(2-4-26-18)21-3-5-31(28-21)24-16-23(30-8-12-33-13-9-30)25-22(27-24)15-20(34-25)17-29-6-10-32-11-7-29/h2-5,14-16H,6-13,17H2,1H3.
What are the key properties of 4-[5-[3-(2-methyl-4-pyridinyl)pyrazol-1-yl]-2-(morpholin-4-ylmethyl)thieno[3,2-b]pyridin-7-yl]morpholine?
4-[5-[3-(2-methyl-4-pyridinyl)pyrazol-1-yl]-2-(morpholin-4-ylmethyl)thieno[3,2-b]pyridin-7-yl]morpholine has a molecular weight of 476.61 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3-(2-methyl-4-pyridinyl)pyrazol-1-yl]-2-(morpholin-4-ylmethyl)thieno[3,2-b]pyridin-7-yl]morpholine is sourced from PubChem (CID 169032693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).