4-[(2-pyridin-3-yl-1H-pyrrolo[3,2-b]pyridin-3-yl)methyl]morpholine

C17H18N4O — CID 46974222

IUPAC4-[(2-pyridin-3-yl-1H-pyrrolo[3,2-b]pyridin-3-yl)methyl]morpholine
SMILESc1cncc(-c2[nH]c3cccnc3c2CN2CCOCC2)c1
InChIInChI=1S/C17H18N4O/c1-3-13(11-18-5-1)16-14(12-21-7-9-22-10-8-21)17-15(20-16)4-2-6-19-17/h1-6,11,20H,7-10,12H2
InChIKeyPGCOVXFCVCSQSW-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.46
Rot. Bonds3

About 4-[(2-pyridin-3-yl-1H-pyrrolo[3,2-b]pyridin-3-yl)methyl]morpholine

4-[(2-pyridin-3-yl-1H-pyrrolo[3,2-b]pyridin-3-yl)methyl]morpholine (PubChem CID 46974222) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 4-[(2-pyridin-3-yl-1H-pyrrolo[3,2-b]pyridin-3-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(2-pyridin-3-yl-1H-pyrrolo[3,2-b]pyridin-3-yl)methyl]morpholine
PubChem CID46974222
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name4-[(2-pyridin-3-yl-1H-pyrrolo[3,2-b]pyridin-3-yl)methyl]morpholine
SMILESc1cncc(-c2[nH]c3cccnc3c2CN2CCOCC2)c1
InChIInChI=1S/C17H18N4O/c1-3-13(11-18-5-1)16-14(12-21-7-9-22-10-8-21)17-15(20-16)4-2-6-19-17/h1-6,11,20H,7-10,12H2
InChIKeyPGCOVXFCVCSQSW-UHFFFAOYSA-N
XLogP2.46
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-pyridin-3-yl-1H-pyrrolo[3,2-b]pyridin-3-yl)methyl]morpholine?
The IUPAC name of 4-[(2-pyridin-3-yl-1H-pyrrolo[3,2-b]pyridin-3-yl)methyl]morpholine (CID 46974222) is 4-[(2-pyridin-3-yl-1H-pyrrolo[3,2-b]pyridin-3-yl)methyl]morpholine.
What is the SMILES notation for 4-[(2-pyridin-3-yl-1H-pyrrolo[3,2-b]pyridin-3-yl)methyl]morpholine?
The canonical SMILES for 4-[(2-pyridin-3-yl-1H-pyrrolo[3,2-b]pyridin-3-yl)methyl]morpholine is c1cncc(-c2[nH]c3cccnc3c2CN2CCOCC2)c1.
What is the InChIKey of 4-[(2-pyridin-3-yl-1H-pyrrolo[3,2-b]pyridin-3-yl)methyl]morpholine?
The InChIKey is PGCOVXFCVCSQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-3-13(11-18-5-1)16-14(12-21-7-9-22-10-8-21)17-15(20-16)4-2-6-19-17/h1-6,11,20H,7-10,12H2.
What are the key properties of 4-[(2-pyridin-3-yl-1H-pyrrolo[3,2-b]pyridin-3-yl)methyl]morpholine?
4-[(2-pyridin-3-yl-1H-pyrrolo[3,2-b]pyridin-3-yl)methyl]morpholine has a molecular weight of 294.36 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-pyridin-3-yl-1H-pyrrolo[3,2-b]pyridin-3-yl)methyl]morpholine is sourced from PubChem (CID 46974222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).