4-[4-[2-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrimidin-2-yl]ethyl]phenyl]morpholine

C24H24ClN5O — CID 58442252

IUPAC4-[4-[2-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrimidin-2-yl]ethyl]phenyl]morpholine
SMILESClc1cnc2[nH]cc(Cc3cnc(CCc4ccc(N5CCOCC5)cc4)nc3)c2c1
InChIInChI=1S/C24H24ClN5O/c25-20-12-22-19(15-28-24(22)29-16-20)11-18-13-26-23(27-14-18)6-3-17-1-4-21(5-2-17)30-7-9-31-10-8-30/h1-2,4-5,12-16H,3,6-11H2,(H,28,29)
InChIKeyCFEAZEZFOCUBBM-UHFFFAOYSA-N
MW433.94 g/mol
LogP4.22
Rot. Bonds6

About 4-[4-[2-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrimidin-2-yl]ethyl]phenyl]morpholine

4-[4-[2-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrimidin-2-yl]ethyl]phenyl]morpholine (PubChem CID 58442252) has the molecular formula C24H24ClN5O and a molecular weight of 433.94 g/mol. Its IUPAC name is 4-[4-[2-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrimidin-2-yl]ethyl]phenyl]morpholine.

Molecular Properties

Compound Name4-[4-[2-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrimidin-2-yl]ethyl]phenyl]morpholine
PubChem CID58442252
Molecular FormulaC24H24ClN5O
Molecular Weight433.94 g/mol
Exact Mass433.17
IUPAC Name4-[4-[2-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrimidin-2-yl]ethyl]phenyl]morpholine
SMILESClc1cnc2[nH]cc(Cc3cnc(CCc4ccc(N5CCOCC5)cc4)nc3)c2c1
InChIInChI=1S/C24H24ClN5O/c25-20-12-22-19(15-28-24(22)29-16-20)11-18-13-26-23(27-14-18)6-3-17-1-4-21(5-2-17)30-7-9-31-10-8-30/h1-2,4-5,12-16H,3,6-11H2,(H,28,29)
InChIKeyCFEAZEZFOCUBBM-UHFFFAOYSA-N
XLogP4.22
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.94
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 4-[4-[2-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrimidin-2-yl]ethyl]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-[2-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrimidin-2-yl]ethyl]phenyl]morpholine?
The IUPAC name of 4-[4-[2-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrimidin-2-yl]ethyl]phenyl]morpholine (CID 58442252) is 4-[4-[2-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrimidin-2-yl]ethyl]phenyl]morpholine.
What is the SMILES notation for 4-[4-[2-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrimidin-2-yl]ethyl]phenyl]morpholine?
The canonical SMILES for 4-[4-[2-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrimidin-2-yl]ethyl]phenyl]morpholine is Clc1cnc2[nH]cc(Cc3cnc(CCc4ccc(N5CCOCC5)cc4)nc3)c2c1.
What is the InChIKey of 4-[4-[2-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrimidin-2-yl]ethyl]phenyl]morpholine?
The InChIKey is CFEAZEZFOCUBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O/c25-20-12-22-19(15-28-24(22)29-16-20)11-18-13-26-23(27-14-18)6-3-17-1-4-21(5-2-17)30-7-9-31-10-8-30/h1-2,4-5,12-16H,3,6-11H2,(H,28,29).
What are the key properties of 4-[4-[2-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrimidin-2-yl]ethyl]phenyl]morpholine?
4-[4-[2-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrimidin-2-yl]ethyl]phenyl]morpholine has a molecular weight of 433.94 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrimidin-2-yl]ethyl]phenyl]morpholine is sourced from PubChem (CID 58442252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).