3-[7-[1-(5-bromo-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-8-oxa-3-azabicyclo[3.2.1]octane

C25H24BrN9O — CID 170053224

IUPAC3-[7-[1-(5-bromo-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-8-oxa-3-azabicyclo[3.2.1]octane
SMILESCc1nn(-c2cncc(Br)c2)c(C)c1-c1cc(N2CC3CCC(C2)O3)nc2c(-c3ccn[nH]3)cnn12
InChIInChI=1S/C25H24BrN9O/c1-14-24(15(2)34(32-14)17-7-16(26)9-27-10-17)22-8-23(33-12-18-3-4-19(13-33)36-18)30-25-20(11-29-35(22)25)21-5-6-28-31-21/h5-11,18-19H,3-4,12-13H2,1-2H3,(H,28,31)
InChIKeyYOLZGCKVJJAULC-UHFFFAOYSA-N
MW546.43 g/mol
LogP4.11
Rot. Bonds4

About 3-[7-[1-(5-bromo-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-8-oxa-3-azabicyclo[3.2.1]octane

3-[7-[1-(5-bromo-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-8-oxa-3-azabicyclo[3.2.1]octane (PubChem CID 170053224) has the molecular formula C25H24BrN9O and a molecular weight of 546.43 g/mol. Its IUPAC name is 3-[7-[1-(5-bromo-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-8-oxa-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-[7-[1-(5-bromo-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-8-oxa-3-azabicyclo[3.2.1]octane
PubChem CID170053224
Molecular FormulaC25H24BrN9O
Molecular Weight546.43 g/mol
Exact Mass545.13
IUPAC Name3-[7-[1-(5-bromo-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-8-oxa-3-azabicyclo[3.2.1]octane
SMILESCc1nn(-c2cncc(Br)c2)c(C)c1-c1cc(N2CC3CCC(C2)O3)nc2c(-c3ccn[nH]3)cnn12
InChIInChI=1S/C25H24BrN9O/c1-14-24(15(2)34(32-14)17-7-16(26)9-27-10-17)22-8-23(33-12-18-3-4-19(13-33)36-18)30-25-20(11-29-35(22)25)21-5-6-28-31-21/h5-11,18-19H,3-4,12-13H2,1-2H3,(H,28,31)
InChIKeyYOLZGCKVJJAULC-UHFFFAOYSA-N
XLogP4.11
TPSA102.05 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.43
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-[7-[1-(5-bromo-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-8-oxa-3-azabicyclo[3.2.1]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[7-[1-(5-bromo-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-8-oxa-3-azabicyclo[3.2.1]octane?
The IUPAC name of 3-[7-[1-(5-bromo-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-8-oxa-3-azabicyclo[3.2.1]octane (CID 170053224) is 3-[7-[1-(5-bromo-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-8-oxa-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-[7-[1-(5-bromo-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-8-oxa-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-[7-[1-(5-bromo-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-8-oxa-3-azabicyclo[3.2.1]octane is Cc1nn(-c2cncc(Br)c2)c(C)c1-c1cc(N2CC3CCC(C2)O3)nc2c(-c3ccn[nH]3)cnn12.
What is the InChIKey of 3-[7-[1-(5-bromo-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-8-oxa-3-azabicyclo[3.2.1]octane?
The InChIKey is YOLZGCKVJJAULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24BrN9O/c1-14-24(15(2)34(32-14)17-7-16(26)9-27-10-17)22-8-23(33-12-18-3-4-19(13-33)36-18)30-25-20(11-29-35(22)25)21-5-6-28-31-21/h5-11,18-19H,3-4,12-13H2,1-2H3,(H,28,31).
What are the key properties of 3-[7-[1-(5-bromo-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-8-oxa-3-azabicyclo[3.2.1]octane?
3-[7-[1-(5-bromo-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-8-oxa-3-azabicyclo[3.2.1]octane has a molecular weight of 546.43 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[1-(5-bromo-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-8-oxa-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 170053224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).