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

C21H22N6O — CID 134811076

IUPAC4-[6-(1-methylpyrazol-4-yl)-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine
SMILESCn1cc(-c2cc3c(ccn3Cc3ccncc3)c(N3CCOCC3)n2)cn1
InChIInChI=1S/C21H22N6O/c1-25-15-17(13-23-25)19-12-20-18(21(24-19)26-8-10-28-11-9-26)4-7-27(20)14-16-2-5-22-6-3-16/h2-7,12-13,15H,8-11,14H2,1H3
InChIKeySWBYJUICMVECNL-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.72
Rot. Bonds4

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

4-[6-(1-methylpyrazol-4-yl)-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine (PubChem CID 134811076) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 4-[6-(1-methylpyrazol-4-yl)-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-(1-methylpyrazol-4-yl)-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine
PubChem CID134811076
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name4-[6-(1-methylpyrazol-4-yl)-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine
SMILESCn1cc(-c2cc3c(ccn3Cc3ccncc3)c(N3CCOCC3)n2)cn1
InChIInChI=1S/C21H22N6O/c1-25-15-17(13-23-25)19-12-20-18(21(24-19)26-8-10-28-11-9-26)4-7-27(20)14-16-2-5-22-6-3-16/h2-7,12-13,15H,8-11,14H2,1H3
InChIKeySWBYJUICMVECNL-UHFFFAOYSA-N
XLogP2.72
TPSA61.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-(1-methylpyrazol-4-yl)-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine?
The IUPAC name of 4-[6-(1-methylpyrazol-4-yl)-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine (CID 134811076) is 4-[6-(1-methylpyrazol-4-yl)-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine.
What is the SMILES notation for 4-[6-(1-methylpyrazol-4-yl)-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine?
The canonical SMILES for 4-[6-(1-methylpyrazol-4-yl)-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine is Cn1cc(-c2cc3c(ccn3Cc3ccncc3)c(N3CCOCC3)n2)cn1.
What is the InChIKey of 4-[6-(1-methylpyrazol-4-yl)-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine?
The InChIKey is SWBYJUICMVECNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c1-25-15-17(13-23-25)19-12-20-18(21(24-19)26-8-10-28-11-9-26)4-7-27(20)14-16-2-5-22-6-3-16/h2-7,12-13,15H,8-11,14H2,1H3.
What are the key properties of 4-[6-(1-methylpyrazol-4-yl)-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine?
4-[6-(1-methylpyrazol-4-yl)-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine has a molecular weight of 374.45 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(1-methylpyrazol-4-yl)-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine is sourced from PubChem (CID 134811076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).