4-[3-bromo-6-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]morpholine

C19H18BrN7O — CID 71253826

IUPAC4-[3-bromo-6-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]morpholine
SMILESCn1cc(-c2cc3c(-c4ccc(Br)c(N5CCOCC5)n4)n[nH]c3cn2)cn1
InChIInChI=1S/C19H18BrN7O/c1-26-11-12(9-22-26)16-8-13-17(10-21-16)24-25-18(13)15-3-2-14(20)19(23-15)27-4-6-28-7-5-27/h2-3,8-11H,4-7H2,1H3,(H,24,25)
InChIKeyDYAGKFLCPXLHPV-UHFFFAOYSA-N
MW440.31 g/mol
LogP3.02
Rot. Bonds3

About 4-[3-bromo-6-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]morpholine

4-[3-bromo-6-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]morpholine (PubChem CID 71253826) has the molecular formula C19H18BrN7O and a molecular weight of 440.31 g/mol. Its IUPAC name is 4-[3-bromo-6-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[3-bromo-6-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]morpholine
PubChem CID71253826
Molecular FormulaC19H18BrN7O
Molecular Weight440.31 g/mol
Exact Mass439.08
IUPAC Name4-[3-bromo-6-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]morpholine
SMILESCn1cc(-c2cc3c(-c4ccc(Br)c(N5CCOCC5)n4)n[nH]c3cn2)cn1
InChIInChI=1S/C19H18BrN7O/c1-26-11-12(9-22-26)16-8-13-17(10-21-16)24-25-18(13)15-3-2-14(20)19(23-15)27-4-6-28-7-5-27/h2-3,8-11H,4-7H2,1H3,(H,24,25)
InChIKeyDYAGKFLCPXLHPV-UHFFFAOYSA-N
XLogP3.02
TPSA84.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.31
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-bromo-6-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]morpholine?
The IUPAC name of 4-[3-bromo-6-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]morpholine (CID 71253826) is 4-[3-bromo-6-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[3-bromo-6-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[3-bromo-6-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]morpholine is Cn1cc(-c2cc3c(-c4ccc(Br)c(N5CCOCC5)n4)n[nH]c3cn2)cn1.
What is the InChIKey of 4-[3-bromo-6-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]morpholine?
The InChIKey is DYAGKFLCPXLHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN7O/c1-26-11-12(9-22-26)16-8-13-17(10-21-16)24-25-18(13)15-3-2-14(20)19(23-15)27-4-6-28-7-5-27/h2-3,8-11H,4-7H2,1H3,(H,24,25).
What are the key properties of 4-[3-bromo-6-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]morpholine?
4-[3-bromo-6-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]morpholine has a molecular weight of 440.31 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-bromo-6-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 71253826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).