4-[[4-[4-(4-ethylpiperazin-1-yl)phenyl]-6-methyl-1H-pyrrolo[3,2-c]pyridin-2-yl]methyl]morpholine

C25H33N5O — CID 118152604

IUPAC4-[[4-[4-(4-ethylpiperazin-1-yl)phenyl]-6-methyl-1H-pyrrolo[3,2-c]pyridin-2-yl]methyl]morpholine
SMILESCCN1CCN(c2ccc(-c3nc(C)cc4[nH]c(CN5CCOCC5)cc34)cc2)CC1
InChIInChI=1S/C25H33N5O/c1-3-28-8-10-30(11-9-28)22-6-4-20(5-7-22)25-23-17-21(18-29-12-14-31-15-13-29)27-24(23)16-19(2)26-25/h4-7,16-17,27H,3,8-15,18H2,1-2H3
InChIKeySYNJMPJLPLOYPR-UHFFFAOYSA-N
MW419.57 g/mol
LogP3.51
Rot. Bonds5

About 4-[[4-[4-(4-ethylpiperazin-1-yl)phenyl]-6-methyl-1H-pyrrolo[3,2-c]pyridin-2-yl]methyl]morpholine

4-[[4-[4-(4-ethylpiperazin-1-yl)phenyl]-6-methyl-1H-pyrrolo[3,2-c]pyridin-2-yl]methyl]morpholine (PubChem CID 118152604) has the molecular formula C25H33N5O and a molecular weight of 419.57 g/mol. Its IUPAC name is 4-[[4-[4-(4-ethylpiperazin-1-yl)phenyl]-6-methyl-1H-pyrrolo[3,2-c]pyridin-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-[4-(4-ethylpiperazin-1-yl)phenyl]-6-methyl-1H-pyrrolo[3,2-c]pyridin-2-yl]methyl]morpholine
PubChem CID118152604
Molecular FormulaC25H33N5O
Molecular Weight419.57 g/mol
Exact Mass419.27
IUPAC Name4-[[4-[4-(4-ethylpiperazin-1-yl)phenyl]-6-methyl-1H-pyrrolo[3,2-c]pyridin-2-yl]methyl]morpholine
SMILESCCN1CCN(c2ccc(-c3nc(C)cc4[nH]c(CN5CCOCC5)cc34)cc2)CC1
InChIInChI=1S/C25H33N5O/c1-3-28-8-10-30(11-9-28)22-6-4-20(5-7-22)25-23-17-21(18-29-12-14-31-15-13-29)27-24(23)16-19(2)26-25/h4-7,16-17,27H,3,8-15,18H2,1-2H3
InChIKeySYNJMPJLPLOYPR-UHFFFAOYSA-N
XLogP3.51
TPSA47.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[4-[4-(4-ethylpiperazin-1-yl)phenyl]-6-methyl-1H-pyrrolo[3,2-c]pyridin-2-yl]methyl]morpholine with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 1-[4-[2-(morpholin-4-ylmethyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]piperidine-4-carboxylate
CID 118152930
4-[[4-(4-imidazolidin-1-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]methyl]morpholine
CID 123807409
6-methyl-2-(3-piperidin-1-ylpropyl)-4-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-1H-pyrrolo[3,2-c]pyridine
CID 118152921
4-[[1-[4-(4-ethylpiperazin-1-yl)phenyl]-3,4-dimethyl-5H-cyclopenta[c]pyridin-6-yl]methyl]morpholine
CID 158913491
4-[(4-chloro-6-propan-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)methyl]morpholine
CID 144861420
3-[6-(4-ethylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-methyl-1H-indazole
CID 135820455
2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1H-indole
CID 76995991
1-(4-methylphenyl)-4-(1H-pyrazol-5-ylmethyl)piperazine
CID 171622315
[2-(morpholin-4-ylmethyl)-1H-indol-6-yl]methanamine
CID 117179949
3-(4-morpholin-4-ylphenyl)-1H-indazol-5-amine
CID 86710928
4-[(4-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]morpholine
CID 138491339
3-[2-(4-ethylpiperazin-1-yl)ethyl]-6-morpholin-4-yl-2-sulfanylidene-1H-quinazolin-4-one
CID 3690862

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[4-(4-ethylpiperazin-1-yl)phenyl]-6-methyl-1H-pyrrolo[3,2-c]pyridin-2-yl]methyl]morpholine?
The IUPAC name of 4-[[4-[4-(4-ethylpiperazin-1-yl)phenyl]-6-methyl-1H-pyrrolo[3,2-c]pyridin-2-yl]methyl]morpholine (CID 118152604) is 4-[[4-[4-(4-ethylpiperazin-1-yl)phenyl]-6-methyl-1H-pyrrolo[3,2-c]pyridin-2-yl]methyl]morpholine.
What is the SMILES notation for 4-[[4-[4-(4-ethylpiperazin-1-yl)phenyl]-6-methyl-1H-pyrrolo[3,2-c]pyridin-2-yl]methyl]morpholine?
The canonical SMILES for 4-[[4-[4-(4-ethylpiperazin-1-yl)phenyl]-6-methyl-1H-pyrrolo[3,2-c]pyridin-2-yl]methyl]morpholine is CCN1CCN(c2ccc(-c3nc(C)cc4[nH]c(CN5CCOCC5)cc34)cc2)CC1.
What is the InChIKey of 4-[[4-[4-(4-ethylpiperazin-1-yl)phenyl]-6-methyl-1H-pyrrolo[3,2-c]pyridin-2-yl]methyl]morpholine?
The InChIKey is SYNJMPJLPLOYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O/c1-3-28-8-10-30(11-9-28)22-6-4-20(5-7-22)25-23-17-21(18-29-12-14-31-15-13-29)27-24(23)16-19(2)26-25/h4-7,16-17,27H,3,8-15,18H2,1-2H3.
What are the key properties of 4-[[4-[4-(4-ethylpiperazin-1-yl)phenyl]-6-methyl-1H-pyrrolo[3,2-c]pyridin-2-yl]methyl]morpholine?
4-[[4-[4-(4-ethylpiperazin-1-yl)phenyl]-6-methyl-1H-pyrrolo[3,2-c]pyridin-2-yl]methyl]morpholine has a molecular weight of 419.57 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[4-(4-ethylpiperazin-1-yl)phenyl]-6-methyl-1H-pyrrolo[3,2-c]pyridin-2-yl]methyl]morpholine is sourced from PubChem (CID 118152604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).