(6S)-6-amino-4-methyl-2-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethyl]-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one

C15H23N5O2 — CID 163565028

IUPAC(6S)-6-amino-4-methyl-2-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethyl]-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one
SMILESCN1C(=O)[C@@H](N)CCn2nc(CCN3CC4CC3CO4)cc21
InChIInChI=1S/C15H23N5O2/c1-18-14-6-10(17-20(14)5-3-13(16)15(18)21)2-4-19-8-12-7-11(19)9-22-12/h6,11-13H,2-5,7-9,16H2,1H3/t11?,12?,13-/m0/s1
InChIKeyFULXFYNCQHDYQV-BPCQOVAHSA-N
MW305.38 g/mol
LogP-0.41
Rot. Bonds3

About (6S)-6-amino-4-methyl-2-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethyl]-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one

(6S)-6-amino-4-methyl-2-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethyl]-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one (PubChem CID 163565028) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is (6S)-6-amino-4-methyl-2-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethyl]-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one.

Molecular Properties

Compound Name(6S)-6-amino-4-methyl-2-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethyl]-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one
PubChem CID163565028
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name(6S)-6-amino-4-methyl-2-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethyl]-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one
SMILESCN1C(=O)[C@@H](N)CCn2nc(CCN3CC4CC3CO4)cc21
InChIInChI=1S/C15H23N5O2/c1-18-14-6-10(17-20(14)5-3-13(16)15(18)21)2-4-19-8-12-7-11(19)9-22-12/h6,11-13H,2-5,7-9,16H2,1H3/t11?,12?,13-/m0/s1
InChIKeyFULXFYNCQHDYQV-BPCQOVAHSA-N
XLogP-0.41
TPSA76.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (6S)-6-amino-4-methyl-2-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethyl]-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-amino-4-methyl-2-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethyl]-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one?
The IUPAC name of (6S)-6-amino-4-methyl-2-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethyl]-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one (CID 163565028) is (6S)-6-amino-4-methyl-2-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethyl]-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one.
What is the SMILES notation for (6S)-6-amino-4-methyl-2-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethyl]-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one?
The canonical SMILES for (6S)-6-amino-4-methyl-2-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethyl]-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one is CN1C(=O)[C@@H](N)CCn2nc(CCN3CC4CC3CO4)cc21.
What is the InChIKey of (6S)-6-amino-4-methyl-2-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethyl]-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one?
The InChIKey is FULXFYNCQHDYQV-BPCQOVAHSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-18-14-6-10(17-20(14)5-3-13(16)15(18)21)2-4-19-8-12-7-11(19)9-22-12/h6,11-13H,2-5,7-9,16H2,1H3/t11?,12?,13-/m0/s1.
What are the key properties of (6S)-6-amino-4-methyl-2-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethyl]-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one?
(6S)-6-amino-4-methyl-2-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethyl]-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one has a molecular weight of 305.38 g/mol, XLogP of -0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-amino-4-methyl-2-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethyl]-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one is sourced from PubChem (CID 163565028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).