4-[6-(3-morpholin-4-ylphenyl)-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine

C27H29N5O2 — CID 134806314

IUPAC4-[6-(3-morpholin-4-ylphenyl)-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine
SMILESc1cc(-c2cc3c(ccn3Cc3ccncc3)c(N3CCOCC3)n2)cc(N2CCOCC2)c1
InChIInChI=1S/C27H29N5O2/c1-2-22(18-23(3-1)30-10-14-33-15-11-30)25-19-26-24(27(29-25)31-12-16-34-17-13-31)6-9-32(26)20-21-4-7-28-8-5-21/h1-9,18-19H,10-17,20H2
InChIKeyCMKSIRHJBCGBPS-UHFFFAOYSA-N
MW455.56 g/mol
LogP3.82
Rot. Bonds5

About 4-[6-(3-morpholin-4-ylphenyl)-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine

4-[6-(3-morpholin-4-ylphenyl)-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine (PubChem CID 134806314) has the molecular formula C27H29N5O2 and a molecular weight of 455.56 g/mol. Its IUPAC name is 4-[6-(3-morpholin-4-ylphenyl)-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-(3-morpholin-4-ylphenyl)-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine
PubChem CID134806314
Molecular FormulaC27H29N5O2
Molecular Weight455.56 g/mol
Exact Mass455.23
IUPAC Name4-[6-(3-morpholin-4-ylphenyl)-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine
SMILESc1cc(-c2cc3c(ccn3Cc3ccncc3)c(N3CCOCC3)n2)cc(N2CCOCC2)c1
InChIInChI=1S/C27H29N5O2/c1-2-22(18-23(3-1)30-10-14-33-15-11-30)25-19-26-24(27(29-25)31-12-16-34-17-13-31)6-9-32(26)20-21-4-7-28-8-5-21/h1-9,18-19H,10-17,20H2
InChIKeyCMKSIRHJBCGBPS-UHFFFAOYSA-N
XLogP3.82
TPSA55.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[6-(3-morpholin-4-ylphenyl)-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridin-4-yl]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-[6-(3-morpholin-4-ylphenyl)-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine?
The IUPAC name of 4-[6-(3-morpholin-4-ylphenyl)-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine (CID 134806314) is 4-[6-(3-morpholin-4-ylphenyl)-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine.
What is the SMILES notation for 4-[6-(3-morpholin-4-ylphenyl)-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine?
The canonical SMILES for 4-[6-(3-morpholin-4-ylphenyl)-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine is c1cc(-c2cc3c(ccn3Cc3ccncc3)c(N3CCOCC3)n2)cc(N2CCOCC2)c1.
What is the InChIKey of 4-[6-(3-morpholin-4-ylphenyl)-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine?
The InChIKey is CMKSIRHJBCGBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O2/c1-2-22(18-23(3-1)30-10-14-33-15-11-30)25-19-26-24(27(29-25)31-12-16-34-17-13-31)6-9-32(26)20-21-4-7-28-8-5-21/h1-9,18-19H,10-17,20H2.
What are the key properties of 4-[6-(3-morpholin-4-ylphenyl)-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine?
4-[6-(3-morpholin-4-ylphenyl)-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine has a molecular weight of 455.56 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3-morpholin-4-ylphenyl)-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine is sourced from PubChem (CID 134806314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).