[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanone

C18H26N6O2 — CID 50963771

IUPAC[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanone
SMILESCc1nonc1C1CCCN1C(=O)c1cc2n(n1)CCCN(C(C)C)C2
InChIInChI=1S/C18H26N6O2/c1-12(2)22-7-5-9-24-14(11-22)10-15(19-24)18(25)23-8-4-6-16(23)17-13(3)20-26-21-17/h10,12,16H,4-9,11H2,1-3H3
InChIKeyDZRAOAXQUXTPBD-UHFFFAOYSA-N
MW358.45 g/mol
LogP2.17
Rot. Bonds3

About [2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanone

[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanone (PubChem CID 50963771) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is [2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanone.

Molecular Properties

Compound Name[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanone
PubChem CID50963771
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC Name[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanone
SMILESCc1nonc1C1CCCN1C(=O)c1cc2n(n1)CCCN(C(C)C)C2
InChIInChI=1S/C18H26N6O2/c1-12(2)22-7-5-9-24-14(11-22)10-15(19-24)18(25)23-8-4-6-16(23)17-13(3)20-26-21-17/h10,12,16H,4-9,11H2,1-3H3
InChIKeyDZRAOAXQUXTPBD-UHFFFAOYSA-N
XLogP2.17
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanone?
The IUPAC name of [2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanone (CID 50963771) is [2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanone.
What is the SMILES notation for [2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanone?
The canonical SMILES for [2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanone is Cc1nonc1C1CCCN1C(=O)c1cc2n(n1)CCCN(C(C)C)C2.
What is the InChIKey of [2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanone?
The InChIKey is DZRAOAXQUXTPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-12(2)22-7-5-9-24-14(11-22)10-15(19-24)18(25)23-8-4-6-16(23)17-13(3)20-26-21-17/h10,12,16H,4-9,11H2,1-3H3.
What are the key properties of [2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanone?
[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanone has a molecular weight of 358.45 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanone is sourced from PubChem (CID 50963771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).