1-[2-(9-azabicyclo[3.3.1]nonane-9-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(3,5-dichlorophenyl)propan-1-one

C24H28Cl2N4O2 — CID 90460896

IUPAC1-[2-(9-azabicyclo[3.3.1]nonane-9-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(3,5-dichlorophenyl)propan-1-one
SMILESO=C(CCc1cc(Cl)cc(Cl)c1)N1CCn2nc(C(=O)N3C4CCCC3CCC4)cc2C1
InChIInChI=1S/C24H28Cl2N4O2/c25-17-11-16(12-18(26)13-17)7-8-23(31)28-9-10-29-21(15-28)14-22(27-29)24(32)30-19-3-1-4-20(30)6-2-5-19/h11-14,19-20H,1-10,15H2
InChIKeyCKQVPFUTKCYABI-UHFFFAOYSA-N
MW475.42 g/mol
LogP4.71
Rot. Bonds4

About 1-[2-(9-azabicyclo[3.3.1]nonane-9-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(3,5-dichlorophenyl)propan-1-one

1-[2-(9-azabicyclo[3.3.1]nonane-9-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(3,5-dichlorophenyl)propan-1-one (PubChem CID 90460896) has the molecular formula C24H28Cl2N4O2 and a molecular weight of 475.42 g/mol. Its IUPAC name is 1-[2-(9-azabicyclo[3.3.1]nonane-9-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(3,5-dichlorophenyl)propan-1-one.

Molecular Properties

Compound Name1-[2-(9-azabicyclo[3.3.1]nonane-9-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(3,5-dichlorophenyl)propan-1-one
PubChem CID90460896
Molecular FormulaC24H28Cl2N4O2
Molecular Weight475.42 g/mol
Exact Mass474.16
IUPAC Name1-[2-(9-azabicyclo[3.3.1]nonane-9-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(3,5-dichlorophenyl)propan-1-one
SMILESO=C(CCc1cc(Cl)cc(Cl)c1)N1CCn2nc(C(=O)N3C4CCCC3CCC4)cc2C1
InChIInChI=1S/C24H28Cl2N4O2/c25-17-11-16(12-18(26)13-17)7-8-23(31)28-9-10-29-21(15-28)14-22(27-29)24(32)30-19-3-1-4-20(30)6-2-5-19/h11-14,19-20H,1-10,15H2
InChIKeyCKQVPFUTKCYABI-UHFFFAOYSA-N
XLogP4.71
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.42
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-(9-azabicyclo[3.3.1]nonane-9-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(3,5-dichlorophenyl)propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(9-azabicyclo[3.3.1]nonane-9-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(3,5-dichlorophenyl)propan-1-one?
The IUPAC name of 1-[2-(9-azabicyclo[3.3.1]nonane-9-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(3,5-dichlorophenyl)propan-1-one (CID 90460896) is 1-[2-(9-azabicyclo[3.3.1]nonane-9-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(3,5-dichlorophenyl)propan-1-one.
What is the SMILES notation for 1-[2-(9-azabicyclo[3.3.1]nonane-9-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(3,5-dichlorophenyl)propan-1-one?
The canonical SMILES for 1-[2-(9-azabicyclo[3.3.1]nonane-9-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(3,5-dichlorophenyl)propan-1-one is O=C(CCc1cc(Cl)cc(Cl)c1)N1CCn2nc(C(=O)N3C4CCCC3CCC4)cc2C1.
What is the InChIKey of 1-[2-(9-azabicyclo[3.3.1]nonane-9-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(3,5-dichlorophenyl)propan-1-one?
The InChIKey is CKQVPFUTKCYABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28Cl2N4O2/c25-17-11-16(12-18(26)13-17)7-8-23(31)28-9-10-29-21(15-28)14-22(27-29)24(32)30-19-3-1-4-20(30)6-2-5-19/h11-14,19-20H,1-10,15H2.
What are the key properties of 1-[2-(9-azabicyclo[3.3.1]nonane-9-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(3,5-dichlorophenyl)propan-1-one?
1-[2-(9-azabicyclo[3.3.1]nonane-9-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(3,5-dichlorophenyl)propan-1-one has a molecular weight of 475.42 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(9-azabicyclo[3.3.1]nonane-9-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(3,5-dichlorophenyl)propan-1-one is sourced from PubChem (CID 90460896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).