[2-(1-methylpyrrol-2-yl)azepan-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone

C21H28N4O2 — CID 24685141

IUPAC[2-(1-methylpyrrol-2-yl)azepan-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone
SMILESCn1cccc1C1CCCCCN1C(=O)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C21H28N4O2/c1-23-10-5-7-18(23)19-6-3-2-4-11-25(19)21(26)17-8-9-20(22-16-17)24-12-14-27-15-13-24/h5,7-10,16,19H,2-4,6,11-15H2,1H3
InChIKeyQPGVBIAGQQQNAC-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.01
Rot. Bonds3

About [2-(1-methylpyrrol-2-yl)azepan-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone

[2-(1-methylpyrrol-2-yl)azepan-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone (PubChem CID 24685141) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is [2-(1-methylpyrrol-2-yl)azepan-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[2-(1-methylpyrrol-2-yl)azepan-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone
PubChem CID24685141
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name[2-(1-methylpyrrol-2-yl)azepan-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone
SMILESCn1cccc1C1CCCCCN1C(=O)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C21H28N4O2/c1-23-10-5-7-18(23)19-6-3-2-4-11-25(19)21(26)17-8-9-20(22-16-17)24-12-14-27-15-13-24/h5,7-10,16,19H,2-4,6,11-15H2,1H3
InChIKeyQPGVBIAGQQQNAC-UHFFFAOYSA-N
XLogP3.01
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(1-methylpyrrol-2-yl)azepan-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone 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

[(2R)-2-(1-methylpyrrol-2-yl)azepan-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone
CID 97018716
[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone
CID 56825013
cyclopropyl-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone
CID 94819352
[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone
CID 154778636
[2-(1-methylpyrrol-2-yl)azepan-1-yl]-[4-(piperidin-1-ylmethyl)phenyl]methanone
CID 24685164
(3-hydroxy-2-pyridinyl)-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone
CID 99697978
(3R,6R)-6-methyl-1-(6-morpholin-4-ylpyridine-3-carbonyl)piperidine-3-carboxamide
CID 95585110
N-[[4-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]phenyl]methyl]acetamide
CID 24685063
2-(1-methylpyrrol-2-yl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyrrolidine-1-carboxamide
CID 55794667
(1-benzylpyrazol-4-yl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone
CID 24653748
[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone
CID 24685143
(5S)-5-[(2S)-2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]pyrrolidin-2-one
CID 95134113

Frequently Asked Questions

What is the IUPAC name of [2-(1-methylpyrrol-2-yl)azepan-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone?
The IUPAC name of [2-(1-methylpyrrol-2-yl)azepan-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone (CID 24685141) is [2-(1-methylpyrrol-2-yl)azepan-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone.
What is the SMILES notation for [2-(1-methylpyrrol-2-yl)azepan-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone?
The canonical SMILES for [2-(1-methylpyrrol-2-yl)azepan-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone is Cn1cccc1C1CCCCCN1C(=O)c1ccc(N2CCOCC2)nc1.
What is the InChIKey of [2-(1-methylpyrrol-2-yl)azepan-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone?
The InChIKey is QPGVBIAGQQQNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-23-10-5-7-18(23)19-6-3-2-4-11-25(19)21(26)17-8-9-20(22-16-17)24-12-14-27-15-13-24/h5,7-10,16,19H,2-4,6,11-15H2,1H3.
What are the key properties of [2-(1-methylpyrrol-2-yl)azepan-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone?
[2-(1-methylpyrrol-2-yl)azepan-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone has a molecular weight of 368.48 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methylpyrrol-2-yl)azepan-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone is sourced from PubChem (CID 24685141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).