4-[2-(oxolan-2-yl)-5-(3-pyridin-3-ylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine

C22H23N7O2 — CID 168922113

IUPAC4-[2-(oxolan-2-yl)-5-(3-pyridin-3-ylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESc1cncc(-c2ccn(-c3cc(N4CCOCC4)n4nc(C5CCCO5)cc4n3)n2)c1
InChIInChI=1S/C22H23N7O2/c1-3-16(15-23-6-1)17-5-7-28(25-17)20-14-22(27-8-11-30-12-9-27)29-21(24-20)13-18(26-29)19-4-2-10-31-19/h1,3,5-7,13-15,19H,2,4,8-12H2
InChIKeyJRVWOLOZKMIXMN-UHFFFAOYSA-N
MW417.47 g/mol
LogP2.67
Rot. Bonds4

About 4-[2-(oxolan-2-yl)-5-(3-pyridin-3-ylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine

4-[2-(oxolan-2-yl)-5-(3-pyridin-3-ylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine (PubChem CID 168922113) has the molecular formula C22H23N7O2 and a molecular weight of 417.47 g/mol. Its IUPAC name is 4-[2-(oxolan-2-yl)-5-(3-pyridin-3-ylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Name4-[2-(oxolan-2-yl)-5-(3-pyridin-3-ylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
PubChem CID168922113
Molecular FormulaC22H23N7O2
Molecular Weight417.47 g/mol
Exact Mass417.19
IUPAC Name4-[2-(oxolan-2-yl)-5-(3-pyridin-3-ylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESc1cncc(-c2ccn(-c3cc(N4CCOCC4)n4nc(C5CCCO5)cc4n3)n2)c1
InChIInChI=1S/C22H23N7O2/c1-3-16(15-23-6-1)17-5-7-28(25-17)20-14-22(27-8-11-30-12-9-27)29-21(24-20)13-18(26-29)19-4-2-10-31-19/h1,3,5-7,13-15,19H,2,4,8-12H2
InChIKeyJRVWOLOZKMIXMN-UHFFFAOYSA-N
XLogP2.67
TPSA82.60 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(oxolan-2-yl)-5-(3-pyridin-3-ylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The IUPAC name of 4-[2-(oxolan-2-yl)-5-(3-pyridin-3-ylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine (CID 168922113) is 4-[2-(oxolan-2-yl)-5-(3-pyridin-3-ylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine.
What is the SMILES notation for 4-[2-(oxolan-2-yl)-5-(3-pyridin-3-ylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The canonical SMILES for 4-[2-(oxolan-2-yl)-5-(3-pyridin-3-ylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine is c1cncc(-c2ccn(-c3cc(N4CCOCC4)n4nc(C5CCCO5)cc4n3)n2)c1.
What is the InChIKey of 4-[2-(oxolan-2-yl)-5-(3-pyridin-3-ylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The InChIKey is JRVWOLOZKMIXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O2/c1-3-16(15-23-6-1)17-5-7-28(25-17)20-14-22(27-8-11-30-12-9-27)29-21(24-20)13-18(26-29)19-4-2-10-31-19/h1,3,5-7,13-15,19H,2,4,8-12H2.
What are the key properties of 4-[2-(oxolan-2-yl)-5-(3-pyridin-3-ylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
4-[2-(oxolan-2-yl)-5-(3-pyridin-3-ylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine has a molecular weight of 417.47 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(oxolan-2-yl)-5-(3-pyridin-3-ylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 168922113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).