N-(6-methoxy-3-pyridinyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide

C19H16N6O2S — CID 10200520

IUPACN-(6-methoxy-3-pyridinyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide
SMILESCOc1ccc(NC(=O)c2cccc(CSc3ncnc4[nH]ncc34)c2)cn1
InChIInChI=1S/C19H16N6O2S/c1-27-16-6-5-14(8-20-16)24-18(26)13-4-2-3-12(7-13)10-28-19-15-9-23-25-17(15)21-11-22-19/h2-9,11H,10H2,1H3,(H,24,26)(H,21,22,23,25)
InChIKeyKQOQIIYWLJQPRG-UHFFFAOYSA-N
MW392.44 g/mol
LogP3.30
Rot. Bonds6

About N-(6-methoxy-3-pyridinyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide

N-(6-methoxy-3-pyridinyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide (PubChem CID 10200520) has the molecular formula C19H16N6O2S and a molecular weight of 392.44 g/mol. Its IUPAC name is N-(6-methoxy-3-pyridinyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-(6-methoxy-3-pyridinyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide
PubChem CID10200520
Molecular FormulaC19H16N6O2S
Molecular Weight392.44 g/mol
Exact Mass392.11
IUPAC NameN-(6-methoxy-3-pyridinyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide
SMILESCOc1ccc(NC(=O)c2cccc(CSc3ncnc4[nH]ncc34)c2)cn1
InChIInChI=1S/C19H16N6O2S/c1-27-16-6-5-14(8-20-16)24-18(26)13-4-2-3-12(7-13)10-28-19-15-9-23-25-17(15)21-11-22-19/h2-9,11H,10H2,1H3,(H,24,26)(H,21,22,23,25)
InChIKeyKQOQIIYWLJQPRG-UHFFFAOYSA-N
XLogP3.30
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3-pyridinyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide?
The IUPAC name of N-(6-methoxy-3-pyridinyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide (CID 10200520) is N-(6-methoxy-3-pyridinyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide.
What is the SMILES notation for N-(6-methoxy-3-pyridinyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide?
The canonical SMILES for N-(6-methoxy-3-pyridinyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide is COc1ccc(NC(=O)c2cccc(CSc3ncnc4[nH]ncc34)c2)cn1.
What is the InChIKey of N-(6-methoxy-3-pyridinyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide?
The InChIKey is KQOQIIYWLJQPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O2S/c1-27-16-6-5-14(8-20-16)24-18(26)13-4-2-3-12(7-13)10-28-19-15-9-23-25-17(15)21-11-22-19/h2-9,11H,10H2,1H3,(H,24,26)(H,21,22,23,25).
What are the key properties of N-(6-methoxy-3-pyridinyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide?
N-(6-methoxy-3-pyridinyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide has a molecular weight of 392.44 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-3-pyridinyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide is sourced from PubChem (CID 10200520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).