4-[5-[3-(1-methylpiperidin-4-yl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine

C24H28N8O — CID 168922010

IUPAC4-[5-[3-(1-methylpiperidin-4-yl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESCN1CCC(c2ccn(-c3cc(N4CCOCC4)n4nc(-c5ccncc5)cc4n3)n2)CC1
InChIInChI=1S/C24H28N8O/c1-29-9-4-19(5-10-29)20-6-11-31(27-20)22-17-24(30-12-14-33-15-13-30)32-23(26-22)16-21(28-32)18-2-7-25-8-3-18/h2-3,6-8,11,16-17,19H,4-5,9-10,12-15H2,1H3
InChIKeyLBTJBIINBIZWAH-UHFFFAOYSA-N
MW444.54 g/mol
LogP2.62
Rot. Bonds4

About 4-[5-[3-(1-methylpiperidin-4-yl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine

4-[5-[3-(1-methylpiperidin-4-yl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine (PubChem CID 168922010) has the molecular formula C24H28N8O and a molecular weight of 444.54 g/mol. Its IUPAC name is 4-[5-[3-(1-methylpiperidin-4-yl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Name4-[5-[3-(1-methylpiperidin-4-yl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
PubChem CID168922010
Molecular FormulaC24H28N8O
Molecular Weight444.54 g/mol
Exact Mass444.24
IUPAC Name4-[5-[3-(1-methylpiperidin-4-yl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESCN1CCC(c2ccn(-c3cc(N4CCOCC4)n4nc(-c5ccncc5)cc4n3)n2)CC1
InChIInChI=1S/C24H28N8O/c1-29-9-4-19(5-10-29)20-6-11-31(27-20)22-17-24(30-12-14-33-15-13-30)32-23(26-22)16-21(28-32)18-2-7-25-8-3-18/h2-3,6-8,11,16-17,19H,4-5,9-10,12-15H2,1H3
InChIKeyLBTJBIINBIZWAH-UHFFFAOYSA-N
XLogP2.62
TPSA76.61 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-(1-methylpiperidin-4-yl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The IUPAC name of 4-[5-[3-(1-methylpiperidin-4-yl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine (CID 168922010) is 4-[5-[3-(1-methylpiperidin-4-yl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine.
What is the SMILES notation for 4-[5-[3-(1-methylpiperidin-4-yl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The canonical SMILES for 4-[5-[3-(1-methylpiperidin-4-yl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine is CN1CCC(c2ccn(-c3cc(N4CCOCC4)n4nc(-c5ccncc5)cc4n3)n2)CC1.
What is the InChIKey of 4-[5-[3-(1-methylpiperidin-4-yl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The InChIKey is LBTJBIINBIZWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8O/c1-29-9-4-19(5-10-29)20-6-11-31(27-20)22-17-24(30-12-14-33-15-13-30)32-23(26-22)16-21(28-32)18-2-7-25-8-3-18/h2-3,6-8,11,16-17,19H,4-5,9-10,12-15H2,1H3.
What are the key properties of 4-[5-[3-(1-methylpiperidin-4-yl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
4-[5-[3-(1-methylpiperidin-4-yl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine has a molecular weight of 444.54 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3-(1-methylpiperidin-4-yl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 168922010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).