4-[6-(1H-pyrazol-4-yl)-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine

C20H20N6O — CID 134811363

IUPAC4-[6-(1H-pyrazol-4-yl)-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine
SMILESc1cc(Cn2ccc3c(N4CCOCC4)nc(-c4cn[nH]c4)cc32)ccn1
InChIInChI=1S/C20H20N6O/c1-4-21-5-2-15(1)14-26-6-3-17-19(26)11-18(16-12-22-23-13-16)24-20(17)25-7-9-27-10-8-25/h1-6,11-13H,7-10,14H2,(H,22,23)
InChIKeyQDMJQMIOBRCPFC-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.71
Rot. Bonds4

About 4-[6-(1H-pyrazol-4-yl)-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine

4-[6-(1H-pyrazol-4-yl)-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine (PubChem CID 134811363) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 4-[6-(1H-pyrazol-4-yl)-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-(1H-pyrazol-4-yl)-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine
PubChem CID134811363
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name4-[6-(1H-pyrazol-4-yl)-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine
SMILESc1cc(Cn2ccc3c(N4CCOCC4)nc(-c4cn[nH]c4)cc32)ccn1
InChIInChI=1S/C20H20N6O/c1-4-21-5-2-15(1)14-26-6-3-17-19(26)11-18(16-12-22-23-13-16)24-20(17)25-7-9-27-10-8-25/h1-6,11-13H,7-10,14H2,(H,22,23)
InChIKeyQDMJQMIOBRCPFC-UHFFFAOYSA-N
XLogP2.71
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(1H-pyrazol-4-yl)-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine?
The IUPAC name of 4-[6-(1H-pyrazol-4-yl)-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine (CID 134811363) is 4-[6-(1H-pyrazol-4-yl)-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine.
What is the SMILES notation for 4-[6-(1H-pyrazol-4-yl)-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine?
The canonical SMILES for 4-[6-(1H-pyrazol-4-yl)-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine is c1cc(Cn2ccc3c(N4CCOCC4)nc(-c4cn[nH]c4)cc32)ccn1.
What is the InChIKey of 4-[6-(1H-pyrazol-4-yl)-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine?
The InChIKey is QDMJQMIOBRCPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-4-21-5-2-15(1)14-26-6-3-17-19(26)11-18(16-12-22-23-13-16)24-20(17)25-7-9-27-10-8-25/h1-6,11-13H,7-10,14H2,(H,22,23).
What are the key properties of 4-[6-(1H-pyrazol-4-yl)-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine?
4-[6-(1H-pyrazol-4-yl)-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine has a molecular weight of 360.42 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(1H-pyrazol-4-yl)-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine is sourced from PubChem (CID 134811363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).