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

C20H21N7O — CID 71253640

IUPAC4-[6-[5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]morpholine
SMILESCCn1cc(-c2cc3c(-c4cccc(N5CCOCC5)n4)n[nH]c3cn2)cn1
InChIInChI=1S/C20H21N7O/c1-2-27-13-14(11-22-27)17-10-15-18(12-21-17)24-25-20(15)16-4-3-5-19(23-16)26-6-8-28-9-7-26/h3-5,10-13H,2,6-9H2,1H3,(H,24,25)
InChIKeyFTLPJRYZRTWCHZ-UHFFFAOYSA-N
MW375.44 g/mol
LogP2.74
Rot. Bonds4

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

4-[6-[5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]morpholine (PubChem CID 71253640) has the molecular formula C20H21N7O and a molecular weight of 375.44 g/mol. Its IUPAC name is 4-[6-[5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[6-[5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]morpholine
PubChem CID71253640
Molecular FormulaC20H21N7O
Molecular Weight375.44 g/mol
Exact Mass375.18
IUPAC Name4-[6-[5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]morpholine
SMILESCCn1cc(-c2cc3c(-c4cccc(N5CCOCC5)n4)n[nH]c3cn2)cn1
InChIInChI=1S/C20H21N7O/c1-2-27-13-14(11-22-27)17-10-15-18(12-21-17)24-25-20(15)16-4-3-5-19(23-16)26-6-8-28-9-7-26/h3-5,10-13H,2,6-9H2,1H3,(H,24,25)
InChIKeyFTLPJRYZRTWCHZ-UHFFFAOYSA-N
XLogP2.74
TPSA84.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]morpholine?
The IUPAC name of 4-[6-[5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]morpholine (CID 71253640) is 4-[6-[5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[6-[5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[6-[5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]morpholine is CCn1cc(-c2cc3c(-c4cccc(N5CCOCC5)n4)n[nH]c3cn2)cn1.
What is the InChIKey of 4-[6-[5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]morpholine?
The InChIKey is FTLPJRYZRTWCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O/c1-2-27-13-14(11-22-27)17-10-15-18(12-21-17)24-25-20(15)16-4-3-5-19(23-16)26-6-8-28-9-7-26/h3-5,10-13H,2,6-9H2,1H3,(H,24,25).
What are the key properties of 4-[6-[5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]morpholine?
4-[6-[5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]morpholine has a molecular weight of 375.44 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 71253640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).