6-methoxy-N-[[4-morpholin-4-yl-2-(1H-pyrazolo[5,4-c]pyridin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl]pyridin-3-amine

C23H22N8O2S — CID 24969930

IUPAC6-methoxy-N-[[4-morpholin-4-yl-2-(1H-pyrazolo[5,4-c]pyridin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl]pyridin-3-amine
SMILESCOc1ccc(NCc2cc3nc(-c4cncc5[nH]ncc45)nc(N4CCOCC4)c3s2)cn1
InChIInChI=1S/C23H22N8O2S/c1-32-20-3-2-14(9-26-20)25-10-15-8-18-21(34-15)23(31-4-6-33-7-5-31)29-22(28-18)17-11-24-13-19-16(17)12-27-30-19/h2-3,8-9,11-13,25H,4-7,10H2,1H3,(H,27,30)
InChIKeyHEHUYBYKQPFKNM-UHFFFAOYSA-N
MW474.55 g/mol
LogP3.48
Rot. Bonds6

About 6-methoxy-N-[[4-morpholin-4-yl-2-(1H-pyrazolo[5,4-c]pyridin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl]pyridin-3-amine

6-methoxy-N-[[4-morpholin-4-yl-2-(1H-pyrazolo[5,4-c]pyridin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl]pyridin-3-amine (PubChem CID 24969930) has the molecular formula C23H22N8O2S and a molecular weight of 474.55 g/mol. Its IUPAC name is 6-methoxy-N-[[4-morpholin-4-yl-2-(1H-pyrazolo[5,4-c]pyridin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl]pyridin-3-amine.

Molecular Properties

Compound Name6-methoxy-N-[[4-morpholin-4-yl-2-(1H-pyrazolo[5,4-c]pyridin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl]pyridin-3-amine
PubChem CID24969930
Molecular FormulaC23H22N8O2S
Molecular Weight474.55 g/mol
Exact Mass474.16
IUPAC Name6-methoxy-N-[[4-morpholin-4-yl-2-(1H-pyrazolo[5,4-c]pyridin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl]pyridin-3-amine
SMILESCOc1ccc(NCc2cc3nc(-c4cncc5[nH]ncc45)nc(N4CCOCC4)c3s2)cn1
InChIInChI=1S/C23H22N8O2S/c1-32-20-3-2-14(9-26-20)25-10-15-8-18-21(34-15)23(31-4-6-33-7-5-31)29-22(28-18)17-11-24-13-19-16(17)12-27-30-19/h2-3,8-9,11-13,25H,4-7,10H2,1H3,(H,27,30)
InChIKeyHEHUYBYKQPFKNM-UHFFFAOYSA-N
XLogP3.48
TPSA113.97 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.55
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-methoxy-N-[[4-morpholin-4-yl-2-(1H-pyrazolo[5,4-c]pyridin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl]pyridin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[[4-morpholin-4-yl-2-(1H-pyrazolo[5,4-c]pyridin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl]pyridin-3-amine?
The IUPAC name of 6-methoxy-N-[[4-morpholin-4-yl-2-(1H-pyrazolo[5,4-c]pyridin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl]pyridin-3-amine (CID 24969930) is 6-methoxy-N-[[4-morpholin-4-yl-2-(1H-pyrazolo[5,4-c]pyridin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl]pyridin-3-amine.
What is the SMILES notation for 6-methoxy-N-[[4-morpholin-4-yl-2-(1H-pyrazolo[5,4-c]pyridin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl]pyridin-3-amine?
The canonical SMILES for 6-methoxy-N-[[4-morpholin-4-yl-2-(1H-pyrazolo[5,4-c]pyridin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl]pyridin-3-amine is COc1ccc(NCc2cc3nc(-c4cncc5[nH]ncc45)nc(N4CCOCC4)c3s2)cn1.
What is the InChIKey of 6-methoxy-N-[[4-morpholin-4-yl-2-(1H-pyrazolo[5,4-c]pyridin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl]pyridin-3-amine?
The InChIKey is HEHUYBYKQPFKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N8O2S/c1-32-20-3-2-14(9-26-20)25-10-15-8-18-21(34-15)23(31-4-6-33-7-5-31)29-22(28-18)17-11-24-13-19-16(17)12-27-30-19/h2-3,8-9,11-13,25H,4-7,10H2,1H3,(H,27,30).
What are the key properties of 6-methoxy-N-[[4-morpholin-4-yl-2-(1H-pyrazolo[5,4-c]pyridin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl]pyridin-3-amine?
6-methoxy-N-[[4-morpholin-4-yl-2-(1H-pyrazolo[5,4-c]pyridin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl]pyridin-3-amine has a molecular weight of 474.55 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[[4-morpholin-4-yl-2-(1H-pyrazolo[5,4-c]pyridin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl]pyridin-3-amine is sourced from PubChem (CID 24969930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).