4-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)-2-pyridin-3-ylmorpholine

C21H21N5O — CID 154974491

IUPAC4-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)-2-pyridin-3-ylmorpholine
SMILESc1cncc(C2CN(c3ccc4c(c3)NCc3cccnc3N4)CCO2)c1
InChIInChI=1S/C21H21N5O/c1-3-15(12-22-7-1)20-14-26(9-10-27-20)17-5-6-18-19(11-17)24-13-16-4-2-8-23-21(16)25-18/h1-8,11-12,20,24H,9-10,13-14H2,(H,23,25)
InChIKeyVFMSFRFDDRIZGJ-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.72
Rot. Bonds2

About 4-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)-2-pyridin-3-ylmorpholine

4-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)-2-pyridin-3-ylmorpholine (PubChem CID 154974491) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 4-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)-2-pyridin-3-ylmorpholine.

Molecular Properties

Compound Name4-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)-2-pyridin-3-ylmorpholine
PubChem CID154974491
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name4-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)-2-pyridin-3-ylmorpholine
SMILESc1cncc(C2CN(c3ccc4c(c3)NCc3cccnc3N4)CCO2)c1
InChIInChI=1S/C21H21N5O/c1-3-15(12-22-7-1)20-14-26(9-10-27-20)17-5-6-18-19(11-17)24-13-16-4-2-8-23-21(16)25-18/h1-8,11-12,20,24H,9-10,13-14H2,(H,23,25)
InChIKeyVFMSFRFDDRIZGJ-UHFFFAOYSA-N
XLogP3.72
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)-2-pyridin-3-ylmorpholine 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-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)-2-pyridin-3-ylmorpholine?
The IUPAC name of 4-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)-2-pyridin-3-ylmorpholine (CID 154974491) is 4-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)-2-pyridin-3-ylmorpholine.
What is the SMILES notation for 4-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)-2-pyridin-3-ylmorpholine?
The canonical SMILES for 4-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)-2-pyridin-3-ylmorpholine is c1cncc(C2CN(c3ccc4c(c3)NCc3cccnc3N4)CCO2)c1.
What is the InChIKey of 4-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)-2-pyridin-3-ylmorpholine?
The InChIKey is VFMSFRFDDRIZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-3-15(12-22-7-1)20-14-26(9-10-27-20)17-5-6-18-19(11-17)24-13-16-4-2-8-23-21(16)25-18/h1-8,11-12,20,24H,9-10,13-14H2,(H,23,25).
What are the key properties of 4-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)-2-pyridin-3-ylmorpholine?
4-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)-2-pyridin-3-ylmorpholine has a molecular weight of 359.43 g/mol, XLogP of 3.72, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)-2-pyridin-3-ylmorpholine is sourced from PubChem (CID 154974491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).