[2-(6-cyclopropylpyrimidin-4-yl)-1,2,5-oxadiazepan-5-yl]-[2-(triazol-2-yl)phenyl]methanone

C20H21N7O2 — CID 155084346

IUPAC[2-(6-cyclopropylpyrimidin-4-yl)-1,2,5-oxadiazepan-5-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESO=C(c1ccccc1-n1nccn1)N1CCON(c2cc(C3CC3)ncn2)CC1
InChIInChI=1S/C20H21N7O2/c28-20(16-3-1-2-4-18(16)27-23-7-8-24-27)25-9-10-26(29-12-11-25)19-13-17(15-5-6-15)21-14-22-19/h1-4,7-8,13-15H,5-6,9-12H2
InChIKeyPGCOYWVSNDMGPU-UHFFFAOYSA-N
MW391.44 g/mol
LogP1.83
Rot. Bonds4

About [2-(6-cyclopropylpyrimidin-4-yl)-1,2,5-oxadiazepan-5-yl]-[2-(triazol-2-yl)phenyl]methanone

[2-(6-cyclopropylpyrimidin-4-yl)-1,2,5-oxadiazepan-5-yl]-[2-(triazol-2-yl)phenyl]methanone (PubChem CID 155084346) has the molecular formula C20H21N7O2 and a molecular weight of 391.44 g/mol. Its IUPAC name is [2-(6-cyclopropylpyrimidin-4-yl)-1,2,5-oxadiazepan-5-yl]-[2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[2-(6-cyclopropylpyrimidin-4-yl)-1,2,5-oxadiazepan-5-yl]-[2-(triazol-2-yl)phenyl]methanone
PubChem CID155084346
Molecular FormulaC20H21N7O2
Molecular Weight391.44 g/mol
Exact Mass391.18
IUPAC Name[2-(6-cyclopropylpyrimidin-4-yl)-1,2,5-oxadiazepan-5-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESO=C(c1ccccc1-n1nccn1)N1CCON(c2cc(C3CC3)ncn2)CC1
InChIInChI=1S/C20H21N7O2/c28-20(16-3-1-2-4-18(16)27-23-7-8-24-27)25-9-10-26(29-12-11-25)19-13-17(15-5-6-15)21-14-22-19/h1-4,7-8,13-15H,5-6,9-12H2
InChIKeyPGCOYWVSNDMGPU-UHFFFAOYSA-N
XLogP1.83
TPSA89.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [2-(6-cyclopropylpyrimidin-4-yl)-1,2,5-oxadiazepan-5-yl]-[2-(triazol-2-yl)phenyl]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

[2-(6-methoxy-2-pyridinyl)-1,2,5-oxadiazepan-5-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 134287053
[(7S)-2-[2-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-yl]-7-methyl-1,2,5-oxadiazepan-5-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 134279351
[6-(oxan-4-yl)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 146078438
[4-(6,7-difluoroquinoxalin-2-yl)-1,4-diazepan-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 163419343
[4-[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 91767555
[(3aR,7aR)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 121417327
1-[2-(triazol-2-yl)benzoyl]piperidine-3-carbothioamide
CID 144786935
[4-(6-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]-(furan-3-yl)methanone
CID 72854787
[3-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 145069809
S-[1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl] ethanethioate
CID 145108146
[(3R)-3-(quinoxalin-2-ylamino)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 134503247
[3-[(2-methylimidazo[1,2-a]pyrazin-8-yl)amino]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 145111894

Frequently Asked Questions

What is the IUPAC name of [2-(6-cyclopropylpyrimidin-4-yl)-1,2,5-oxadiazepan-5-yl]-[2-(triazol-2-yl)phenyl]methanone?
The IUPAC name of [2-(6-cyclopropylpyrimidin-4-yl)-1,2,5-oxadiazepan-5-yl]-[2-(triazol-2-yl)phenyl]methanone (CID 155084346) is [2-(6-cyclopropylpyrimidin-4-yl)-1,2,5-oxadiazepan-5-yl]-[2-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for [2-(6-cyclopropylpyrimidin-4-yl)-1,2,5-oxadiazepan-5-yl]-[2-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for [2-(6-cyclopropylpyrimidin-4-yl)-1,2,5-oxadiazepan-5-yl]-[2-(triazol-2-yl)phenyl]methanone is O=C(c1ccccc1-n1nccn1)N1CCON(c2cc(C3CC3)ncn2)CC1.
What is the InChIKey of [2-(6-cyclopropylpyrimidin-4-yl)-1,2,5-oxadiazepan-5-yl]-[2-(triazol-2-yl)phenyl]methanone?
The InChIKey is PGCOYWVSNDMGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O2/c28-20(16-3-1-2-4-18(16)27-23-7-8-24-27)25-9-10-26(29-12-11-25)19-13-17(15-5-6-15)21-14-22-19/h1-4,7-8,13-15H,5-6,9-12H2.
What are the key properties of [2-(6-cyclopropylpyrimidin-4-yl)-1,2,5-oxadiazepan-5-yl]-[2-(triazol-2-yl)phenyl]methanone?
[2-(6-cyclopropylpyrimidin-4-yl)-1,2,5-oxadiazepan-5-yl]-[2-(triazol-2-yl)phenyl]methanone has a molecular weight of 391.44 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-cyclopropylpyrimidin-4-yl)-1,2,5-oxadiazepan-5-yl]-[2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 155084346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).