(2-methylcyclopropyl)-(4-pyridin-2-yloxy-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-2-yl)methanone

C18H21N3O2 — CID 131693455

IUPAC(2-methylcyclopropyl)-(4-pyridin-2-yloxy-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-2-yl)methanone
SMILESCC1CC1C(=O)N1Cc2cccn2CC(Oc2ccccn2)C1
InChIInChI=1S/C18H21N3O2/c1-13-9-16(13)18(22)21-10-14-5-4-8-20(14)11-15(12-21)23-17-6-2-3-7-19-17/h2-8,13,15-16H,9-12H2,1H3
InChIKeyHXYLSZBVVLQIJB-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.33
Rot. Bonds3

About (2-methylcyclopropyl)-(4-pyridin-2-yloxy-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-2-yl)methanone

(2-methylcyclopropyl)-(4-pyridin-2-yloxy-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-2-yl)methanone (PubChem CID 131693455) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is (2-methylcyclopropyl)-(4-pyridin-2-yloxy-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-2-yl)methanone.

Molecular Properties

Compound Name(2-methylcyclopropyl)-(4-pyridin-2-yloxy-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-2-yl)methanone
PubChem CID131693455
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name(2-methylcyclopropyl)-(4-pyridin-2-yloxy-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-2-yl)methanone
SMILESCC1CC1C(=O)N1Cc2cccn2CC(Oc2ccccn2)C1
InChIInChI=1S/C18H21N3O2/c1-13-9-16(13)18(22)21-10-14-5-4-8-20(14)11-15(12-21)23-17-6-2-3-7-19-17/h2-8,13,15-16H,9-12H2,1H3
InChIKeyHXYLSZBVVLQIJB-UHFFFAOYSA-N
XLogP2.33
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-methylcyclopropyl)-(4-pyridin-2-yloxy-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-2-yl)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

(4-methoxyphenyl)-[(4R)-4-pyrimidin-2-yloxy-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-2-yl]methanone
CID 124819094
6-[[(4R)-2-[2-(dimethylamino)acetyl]-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-4-yl]oxy]pyridine-3-carbonitrile
CID 124805119
(4-methylphenyl)-(3-pyridin-2-yloxyazetidin-1-yl)methanone
CID 122247097
1-methyl-4-(3-pyridin-2-yloxyazetidine-1-carbonyl)pyrrolidin-2-one
CID 122247283
[(4S)-4-methoxy-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-pyridazin-4-ylmethanone
CID 124789381
(2-chlorophenyl)-(3-pyridin-2-yloxyazetidin-1-yl)methanone
CID 122247119
2,3-dihydro-1-benzofuran-2-yl-[4-(pyridin-2-ylmethoxy)-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-2-yl]methanone
CID 131693999
1-(4-pyridin-2-yloxypiperidin-1-yl)ethanone
CID 71798593
[(4S)-4-pyridin-3-yloxy-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-(1,3-thiazol-4-yl)methanone
CID 124794452
[4-(2-methoxyethyl)-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-pyridin-2-ylmethanone
CID 131695755
(4-ethoxy-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-pyridazin-4-ylmethanone
CID 131656890
2-(2-methylphenoxy)-1-(3-pyridin-2-yloxyazetidin-1-yl)ethanone
CID 122247163

Frequently Asked Questions

What is the IUPAC name of (2-methylcyclopropyl)-(4-pyridin-2-yloxy-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-2-yl)methanone?
The IUPAC name of (2-methylcyclopropyl)-(4-pyridin-2-yloxy-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-2-yl)methanone (CID 131693455) is (2-methylcyclopropyl)-(4-pyridin-2-yloxy-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-2-yl)methanone.
What is the SMILES notation for (2-methylcyclopropyl)-(4-pyridin-2-yloxy-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-2-yl)methanone?
The canonical SMILES for (2-methylcyclopropyl)-(4-pyridin-2-yloxy-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-2-yl)methanone is CC1CC1C(=O)N1Cc2cccn2CC(Oc2ccccn2)C1.
What is the InChIKey of (2-methylcyclopropyl)-(4-pyridin-2-yloxy-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-2-yl)methanone?
The InChIKey is HXYLSZBVVLQIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13-9-16(13)18(22)21-10-14-5-4-8-20(14)11-15(12-21)23-17-6-2-3-7-19-17/h2-8,13,15-16H,9-12H2,1H3.
What are the key properties of (2-methylcyclopropyl)-(4-pyridin-2-yloxy-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-2-yl)methanone?
(2-methylcyclopropyl)-(4-pyridin-2-yloxy-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-2-yl)methanone has a molecular weight of 311.38 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcyclopropyl)-(4-pyridin-2-yloxy-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-2-yl)methanone is sourced from PubChem (CID 131693455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).