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

C24H22N6O — CID 121339271

IUPAC4-[4-[3-(pyrazolo[5,4-b]pyridin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine
SMILESc1cnc2c(c1)cnn2Cc1c[nH]c2ncc(-c3ccc(N4CCOCC4)cc3)cc12
InChIInChI=1S/C24H22N6O/c1-2-18-15-28-30(24(18)25-7-1)16-20-14-27-23-22(20)12-19(13-26-23)17-3-5-21(6-4-17)29-8-10-31-11-9-29/h1-7,12-15H,8-11,16H2,(H,26,27)
InChIKeySXPAQBCCGNALIQ-UHFFFAOYSA-N
MW410.48 g/mol
LogP3.86
Rot. Bonds4

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

4-[4-[3-(pyrazolo[5,4-b]pyridin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine (PubChem CID 121339271) has the molecular formula C24H22N6O and a molecular weight of 410.48 g/mol. Its IUPAC name is 4-[4-[3-(pyrazolo[5,4-b]pyridin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine.

Molecular Properties

Compound Name4-[4-[3-(pyrazolo[5,4-b]pyridin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine
PubChem CID121339271
Molecular FormulaC24H22N6O
Molecular Weight410.48 g/mol
Exact Mass410.19
IUPAC Name4-[4-[3-(pyrazolo[5,4-b]pyridin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine
SMILESc1cnc2c(c1)cnn2Cc1c[nH]c2ncc(-c3ccc(N4CCOCC4)cc3)cc12
InChIInChI=1S/C24H22N6O/c1-2-18-15-28-30(24(18)25-7-1)16-20-14-27-23-22(20)12-19(13-26-23)17-3-5-21(6-4-17)29-8-10-31-11-9-29/h1-7,12-15H,8-11,16H2,(H,26,27)
InChIKeySXPAQBCCGNALIQ-UHFFFAOYSA-N
XLogP3.86
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[4-[3-(pyrazolo[5,4-b]pyridin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(pyrazolo[5,4-b]pyridin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine?
The IUPAC name of 4-[4-[3-(pyrazolo[5,4-b]pyridin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine (CID 121339271) is 4-[4-[3-(pyrazolo[5,4-b]pyridin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine.
What is the SMILES notation for 4-[4-[3-(pyrazolo[5,4-b]pyridin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine?
The canonical SMILES for 4-[4-[3-(pyrazolo[5,4-b]pyridin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine is c1cnc2c(c1)cnn2Cc1c[nH]c2ncc(-c3ccc(N4CCOCC4)cc3)cc12.
What is the InChIKey of 4-[4-[3-(pyrazolo[5,4-b]pyridin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine?
The InChIKey is SXPAQBCCGNALIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O/c1-2-18-15-28-30(24(18)25-7-1)16-20-14-27-23-22(20)12-19(13-26-23)17-3-5-21(6-4-17)29-8-10-31-11-9-29/h1-7,12-15H,8-11,16H2,(H,26,27).
What are the key properties of 4-[4-[3-(pyrazolo[5,4-b]pyridin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine?
4-[4-[3-(pyrazolo[5,4-b]pyridin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine has a molecular weight of 410.48 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(pyrazolo[5,4-b]pyridin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine is sourced from PubChem (CID 121339271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).