4-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine

C20H19N5O — CID 59811985

IUPAC4-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine
SMILESc1cc(N2CCOCC2)ccc1-c1cnc2[nH]cc(-c3cn[nH]c3)c2c1
InChIInChI=1S/C20H19N5O/c1-3-17(25-5-7-26-8-6-25)4-2-14(1)15-9-18-19(16-11-23-24-12-16)13-22-20(18)21-10-15/h1-4,9-13H,5-8H2,(H,21,22)(H,23,24)
InChIKeyKLHCOSNGHYGERL-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.46
Rot. Bonds3

About 4-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine

4-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine (PubChem CID 59811985) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 4-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine.

Molecular Properties

Compound Name4-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine
PubChem CID59811985
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name4-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine
SMILESc1cc(N2CCOCC2)ccc1-c1cnc2[nH]cc(-c3cn[nH]c3)c2c1
InChIInChI=1S/C20H19N5O/c1-3-17(25-5-7-26-8-6-25)4-2-14(1)15-9-18-19(16-11-23-24-12-16)13-22-20(18)21-10-15/h1-4,9-13H,5-8H2,(H,21,22)(H,23,24)
InChIKeyKLHCOSNGHYGERL-UHFFFAOYSA-N
XLogP3.46
TPSA69.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine?
The IUPAC name of 4-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine (CID 59811985) is 4-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine.
What is the SMILES notation for 4-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine?
The canonical SMILES for 4-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine is c1cc(N2CCOCC2)ccc1-c1cnc2[nH]cc(-c3cn[nH]c3)c2c1.
What is the InChIKey of 4-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine?
The InChIKey is KLHCOSNGHYGERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-3-17(25-5-7-26-8-6-25)4-2-14(1)15-9-18-19(16-11-23-24-12-16)13-22-20(18)21-10-15/h1-4,9-13H,5-8H2,(H,21,22)(H,23,24).
What are the key properties of 4-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine?
4-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine has a molecular weight of 345.41 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine is sourced from PubChem (CID 59811985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).