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

C18H21N5O3 — CID 66829105

IUPAC4-[4-[4-(2-methoxyethoxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine
SMILESCOCCOc1nccc2[nH]nc(-c3ccnc(N4CCOCC4)c3)c12
InChIInChI=1S/C18H21N5O3/c1-24-10-11-26-18-16-14(3-5-20-18)21-22-17(16)13-2-4-19-15(12-13)23-6-8-25-9-7-23/h2-5,12H,6-11H2,1H3,(H,21,22)
InChIKeyDCNUUEDJBZHGAW-UHFFFAOYSA-N
MW355.40 g/mol
LogP1.88
Rot. Bonds6

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

4-[4-[4-(2-methoxyethoxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine (PubChem CID 66829105) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is 4-[4-[4-(2-methoxyethoxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[4-[4-(2-methoxyethoxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine
PubChem CID66829105
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name4-[4-[4-(2-methoxyethoxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine
SMILESCOCCOc1nccc2[nH]nc(-c3ccnc(N4CCOCC4)c3)c12
InChIInChI=1S/C18H21N5O3/c1-24-10-11-26-18-16-14(3-5-20-18)21-22-17(16)13-2-4-19-15(12-13)23-6-8-25-9-7-23/h2-5,12H,6-11H2,1H3,(H,21,22)
InChIKeyDCNUUEDJBZHGAW-UHFFFAOYSA-N
XLogP1.88
TPSA85.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(2-methoxyethoxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine?
The IUPAC name of 4-[4-[4-(2-methoxyethoxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine (CID 66829105) is 4-[4-[4-(2-methoxyethoxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[4-[4-(2-methoxyethoxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[4-[4-(2-methoxyethoxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine is COCCOc1nccc2[nH]nc(-c3ccnc(N4CCOCC4)c3)c12.
What is the InChIKey of 4-[4-[4-(2-methoxyethoxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine?
The InChIKey is DCNUUEDJBZHGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-24-10-11-26-18-16-14(3-5-20-18)21-22-17(16)13-2-4-19-15(12-13)23-6-8-25-9-7-23/h2-5,12H,6-11H2,1H3,(H,21,22).
What are the key properties of 4-[4-[4-(2-methoxyethoxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine?
4-[4-[4-(2-methoxyethoxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine has a molecular weight of 355.40 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(2-methoxyethoxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 66829105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).