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

C26H27N9O — CID 170053226

IUPAC3-[7-[3,5-dimethyl-1-(5-methyl-3-pyridinyl)pyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-8-oxa-3-azabicyclo[3.2.1]octane
SMILESCc1cncc(-n2nc(C)c(-c3cc(N4CC5CCC(C4)O5)nc4c(-c5ccn[nH]5)cnn34)c2C)c1
InChIInChI=1S/C26H27N9O/c1-15-8-18(11-27-10-15)34-17(3)25(16(2)32-34)23-9-24(33-13-19-4-5-20(14-33)36-19)30-26-21(12-29-35(23)26)22-6-7-28-31-22/h6-12,19-20H,4-5,13-14H2,1-3H3,(H,28,31)
InChIKeyUJLSHBMEXDIQDM-UHFFFAOYSA-N
MW481.56 g/mol
LogP3.66
Rot. Bonds4

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

3-[7-[3,5-dimethyl-1-(5-methyl-3-pyridinyl)pyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-8-oxa-3-azabicyclo[3.2.1]octane (PubChem CID 170053226) has the molecular formula C26H27N9O and a molecular weight of 481.56 g/mol. Its IUPAC name is 3-[7-[3,5-dimethyl-1-(5-methyl-3-pyridinyl)pyrazol-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-[3,5-dimethyl-1-(5-methyl-3-pyridinyl)pyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-8-oxa-3-azabicyclo[3.2.1]octane
PubChem CID170053226
Molecular FormulaC26H27N9O
Molecular Weight481.56 g/mol
Exact Mass481.23
IUPAC Name3-[7-[3,5-dimethyl-1-(5-methyl-3-pyridinyl)pyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-8-oxa-3-azabicyclo[3.2.1]octane
SMILESCc1cncc(-n2nc(C)c(-c3cc(N4CC5CCC(C4)O5)nc4c(-c5ccn[nH]5)cnn34)c2C)c1
InChIInChI=1S/C26H27N9O/c1-15-8-18(11-27-10-15)34-17(3)25(16(2)32-34)23-9-24(33-13-19-4-5-20(14-33)36-19)30-26-21(12-29-35(23)26)22-6-7-28-31-22/h6-12,19-20H,4-5,13-14H2,1-3H3,(H,28,31)
InChIKeyUJLSHBMEXDIQDM-UHFFFAOYSA-N
XLogP3.66
TPSA102.05 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.56
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of 3-[7-[3,5-dimethyl-1-(5-methyl-3-pyridinyl)pyrazol-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-[3,5-dimethyl-1-(5-methyl-3-pyridinyl)pyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-8-oxa-3-azabicyclo[3.2.1]octane (CID 170053226) is 3-[7-[3,5-dimethyl-1-(5-methyl-3-pyridinyl)pyrazol-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-[3,5-dimethyl-1-(5-methyl-3-pyridinyl)pyrazol-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-[3,5-dimethyl-1-(5-methyl-3-pyridinyl)pyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-8-oxa-3-azabicyclo[3.2.1]octane is Cc1cncc(-n2nc(C)c(-c3cc(N4CC5CCC(C4)O5)nc4c(-c5ccn[nH]5)cnn34)c2C)c1.
What is the InChIKey of 3-[7-[3,5-dimethyl-1-(5-methyl-3-pyridinyl)pyrazol-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 UJLSHBMEXDIQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N9O/c1-15-8-18(11-27-10-15)34-17(3)25(16(2)32-34)23-9-24(33-13-19-4-5-20(14-33)36-19)30-26-21(12-29-35(23)26)22-6-7-28-31-22/h6-12,19-20H,4-5,13-14H2,1-3H3,(H,28,31).
What are the key properties of 3-[7-[3,5-dimethyl-1-(5-methyl-3-pyridinyl)pyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-8-oxa-3-azabicyclo[3.2.1]octane?
3-[7-[3,5-dimethyl-1-(5-methyl-3-pyridinyl)pyrazol-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 481.56 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[3,5-dimethyl-1-(5-methyl-3-pyridinyl)pyrazol-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 170053226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).