cyclopent-3-en-1-yl-[(7R)-7-(pyridin-3-yloxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone

C19H22N4O2 — CID 97463557

IUPACcyclopent-3-en-1-yl-[(7R)-7-(pyridin-3-yloxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone
SMILESO=C(C1CC=CC1)N1Cc2ccnn2C[C@H](COc2cccnc2)C1
InChIInChI=1S/C19H22N4O2/c24-19(16-4-1-2-5-16)22-11-15(12-23-17(13-22)7-9-21-23)14-25-18-6-3-8-20-10-18/h1-3,6-10,15-16H,4-5,11-14H2/t15-/m1/s1
InChIKeyCODMTIOMKSJDAE-OAHLLOKOSA-N
MW338.41 g/mol
LogP2.28
Rot. Bonds4

About cyclopent-3-en-1-yl-[(7R)-7-(pyridin-3-yloxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone

cyclopent-3-en-1-yl-[(7R)-7-(pyridin-3-yloxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone (PubChem CID 97463557) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is cyclopent-3-en-1-yl-[(7R)-7-(pyridin-3-yloxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone.

Molecular Properties

Compound Namecyclopent-3-en-1-yl-[(7R)-7-(pyridin-3-yloxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone
PubChem CID97463557
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Namecyclopent-3-en-1-yl-[(7R)-7-(pyridin-3-yloxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone
SMILESO=C(C1CC=CC1)N1Cc2ccnn2C[C@H](COc2cccnc2)C1
InChIInChI=1S/C19H22N4O2/c24-19(16-4-1-2-5-16)22-11-15(12-23-17(13-22)7-9-21-23)14-25-18-6-3-8-20-10-18/h1-3,6-10,15-16H,4-5,11-14H2/t15-/m1/s1
InChIKeyCODMTIOMKSJDAE-OAHLLOKOSA-N
XLogP2.28
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze cyclopent-3-en-1-yl-[(7R)-7-(pyridin-3-yloxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone with MolForge

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Related Compounds

cyclopent-3-en-1-yl-[7-(pyridin-3-yloxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone;bis(2,2,2-trifluoroacetic acid)
CID 155835243
cyclopent-3-en-1-yl-[7-(pyridin-3-yloxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone;2,2,2-trifluoroacetic acid
CID 171692819
2-ethoxy-1-[(7R)-7-(pyridin-3-yloxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethanone
CID 97463554
2-methoxy-1-[6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone
CID 118739329
[(1S)-cyclohex-3-en-1-yl]-[3-(phenoxymethyl)azetidin-1-yl]methanone
CID 100678884
(7R)-N-propan-2-yl-7-(pyridin-3-ylmethoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide
CID 97463575
cyclopent-3-en-1-yl-[(5S)-5-(pyridin-3-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 97476184
2-ethoxy-1-[6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone
CID 131661278
1-[(7R)-7-[(dimethylamino)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-3-phenoxypropan-1-one
CID 124818117
2-methoxy-1-[(7S)-7-(pyridin-2-ylmethoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethanone
CID 97463594
(3-fluoro-4-pyridinyl)-[(7S)-7-(prop-2-enoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone
CID 97463457
(6R)-N-propan-2-yl-6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide
CID 97462500

Frequently Asked Questions

What is the IUPAC name of cyclopent-3-en-1-yl-[(7R)-7-(pyridin-3-yloxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone?
The IUPAC name of cyclopent-3-en-1-yl-[(7R)-7-(pyridin-3-yloxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone (CID 97463557) is cyclopent-3-en-1-yl-[(7R)-7-(pyridin-3-yloxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone.
What is the SMILES notation for cyclopent-3-en-1-yl-[(7R)-7-(pyridin-3-yloxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone?
The canonical SMILES for cyclopent-3-en-1-yl-[(7R)-7-(pyridin-3-yloxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone is O=C(C1CC=CC1)N1Cc2ccnn2C[C@H](COc2cccnc2)C1.
What is the InChIKey of cyclopent-3-en-1-yl-[(7R)-7-(pyridin-3-yloxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone?
The InChIKey is CODMTIOMKSJDAE-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H22N4O2/c24-19(16-4-1-2-5-16)22-11-15(12-23-17(13-22)7-9-21-23)14-25-18-6-3-8-20-10-18/h1-3,6-10,15-16H,4-5,11-14H2/t15-/m1/s1.
What are the key properties of cyclopent-3-en-1-yl-[(7R)-7-(pyridin-3-yloxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone?
cyclopent-3-en-1-yl-[(7R)-7-(pyridin-3-yloxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone has a molecular weight of 338.41 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopent-3-en-1-yl-[(7R)-7-(pyridin-3-yloxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone is sourced from PubChem (CID 97463557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).