[4-[5-[(2-chloro-3-pyridinyl)methyl]-6,7,8,9-tetrahydropyrazino[2,3-b]azepin-3-yl]-2-pyridinyl]-morpholin-4-ylmethanone

C24H25ClN6O2 — CID 58523774

IUPAC[4-[5-[(2-chloro-3-pyridinyl)methyl]-6,7,8,9-tetrahydropyrazino[2,3-b]azepin-3-yl]-2-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(-c2cnc3c(n2)N(Cc2cccnc2Cl)CCCC3)ccn1)N1CCOCC1
InChIInChI=1S/C24H25ClN6O2/c25-22-18(4-3-7-27-22)16-31-9-2-1-5-19-23(31)29-21(15-28-19)17-6-8-26-20(14-17)24(32)30-10-12-33-13-11-30/h3-4,6-8,14-15H,1-2,5,9-13,16H2
InChIKeyQJVPJSWKAJUTKH-UHFFFAOYSA-N
MW464.96 g/mol
LogP3.40
Rot. Bonds4

About [4-[5-[(2-chloro-3-pyridinyl)methyl]-6,7,8,9-tetrahydropyrazino[2,3-b]azepin-3-yl]-2-pyridinyl]-morpholin-4-ylmethanone

[4-[5-[(2-chloro-3-pyridinyl)methyl]-6,7,8,9-tetrahydropyrazino[2,3-b]azepin-3-yl]-2-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 58523774) has the molecular formula C24H25ClN6O2 and a molecular weight of 464.96 g/mol. Its IUPAC name is [4-[5-[(2-chloro-3-pyridinyl)methyl]-6,7,8,9-tetrahydropyrazino[2,3-b]azepin-3-yl]-2-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[5-[(2-chloro-3-pyridinyl)methyl]-6,7,8,9-tetrahydropyrazino[2,3-b]azepin-3-yl]-2-pyridinyl]-morpholin-4-ylmethanone
PubChem CID58523774
Molecular FormulaC24H25ClN6O2
Molecular Weight464.96 g/mol
Exact Mass464.17
IUPAC Name[4-[5-[(2-chloro-3-pyridinyl)methyl]-6,7,8,9-tetrahydropyrazino[2,3-b]azepin-3-yl]-2-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(-c2cnc3c(n2)N(Cc2cccnc2Cl)CCCC3)ccn1)N1CCOCC1
InChIInChI=1S/C24H25ClN6O2/c25-22-18(4-3-7-27-22)16-31-9-2-1-5-19-23(31)29-21(15-28-19)17-6-8-26-20(14-17)24(32)30-10-12-33-13-11-30/h3-4,6-8,14-15H,1-2,5,9-13,16H2
InChIKeyQJVPJSWKAJUTKH-UHFFFAOYSA-N
XLogP3.40
TPSA84.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.96
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze [4-[5-[(2-chloro-3-pyridinyl)methyl]-6,7,8,9-tetrahydropyrazino[2,3-b]azepin-3-yl]-2-pyridinyl]-morpholin-4-ylmethanone 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

5-Chloro-2-ethyl-9-methyl-13-[2-(pyridin-4-yl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470666
5-Chloro-2-ethyl-9-methyl-13-[2-(2-methylpyridin-4-yl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470758
4-(2-{5-Chloro-2-ethyl-9-methyl-10-oxo-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-13-yl}ethyl)pyridine-2-carboxamide
CID 470763
5,11-Dihydro-11-ethyl-5-methyl-2-morpholino-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one
CID 463551
5-[(3S)-4-[1-(2-amino-6-chloropyridine-3-carbonyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]-6-chloropyrazine-2-carboxamide
CID 57390764
5-[(3S)-4-[1-(2-amino-6-chloropyridine-3-carbonyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]-6-(trifluoromethyl)pyrazine-2-carboxamide
CID 57396055
5-[(3S)-4-[1-(2-amino-6-chloropyridine-3-carbonyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]-6-methylpyrazine-2-carboxamide
CID 57399515
5-[(3S)-4-[1-(2-amino-6-chloropyridine-3-carbonyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]-N,6-dimethylpyrazine-2-carboxamide
CID 57399516
2-(1,1-difluoroethyl)-N-[6-methyl-5-(6-morpholin-4-ylpyrazin-2-yl)pyridin-3-yl]pyridine-4-carboxamide
CID 90461366
N-((2-Morpholin-4-yl-pyridin-3-yl)methyl)-6-(4-chlorophenyl)-pyrazine-2-carboxamide
CID 52950155
6-[4-(3-amino-2-pyridyl)piperazine-1-carbonyl]-N-(2-pyridylmethyl)pyridine-3-carboxamide
CID 499732
6-[4-[3-(ethylamino)-2-pyridyl]piperazine-1-carbonyl]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 499736

Frequently Asked Questions

What is the IUPAC name of [4-[5-[(2-chloro-3-pyridinyl)methyl]-6,7,8,9-tetrahydropyrazino[2,3-b]azepin-3-yl]-2-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[5-[(2-chloro-3-pyridinyl)methyl]-6,7,8,9-tetrahydropyrazino[2,3-b]azepin-3-yl]-2-pyridinyl]-morpholin-4-ylmethanone (CID 58523774) is [4-[5-[(2-chloro-3-pyridinyl)methyl]-6,7,8,9-tetrahydropyrazino[2,3-b]azepin-3-yl]-2-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[5-[(2-chloro-3-pyridinyl)methyl]-6,7,8,9-tetrahydropyrazino[2,3-b]azepin-3-yl]-2-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[5-[(2-chloro-3-pyridinyl)methyl]-6,7,8,9-tetrahydropyrazino[2,3-b]azepin-3-yl]-2-pyridinyl]-morpholin-4-ylmethanone is O=C(c1cc(-c2cnc3c(n2)N(Cc2cccnc2Cl)CCCC3)ccn1)N1CCOCC1.
What is the InChIKey of [4-[5-[(2-chloro-3-pyridinyl)methyl]-6,7,8,9-tetrahydropyrazino[2,3-b]azepin-3-yl]-2-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is QJVPJSWKAJUTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN6O2/c25-22-18(4-3-7-27-22)16-31-9-2-1-5-19-23(31)29-21(15-28-19)17-6-8-26-20(14-17)24(32)30-10-12-33-13-11-30/h3-4,6-8,14-15H,1-2,5,9-13,16H2.
What are the key properties of [4-[5-[(2-chloro-3-pyridinyl)methyl]-6,7,8,9-tetrahydropyrazino[2,3-b]azepin-3-yl]-2-pyridinyl]-morpholin-4-ylmethanone?
[4-[5-[(2-chloro-3-pyridinyl)methyl]-6,7,8,9-tetrahydropyrazino[2,3-b]azepin-3-yl]-2-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 464.96 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[(2-chloro-3-pyridinyl)methyl]-6,7,8,9-tetrahydropyrazino[2,3-b]azepin-3-yl]-2-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 58523774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).