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

C24H23N7O — CID 166663470

IUPAC4-[5-(5-phenyl-1,5-dihydropyrazol-2-yl)-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESC1=CN(c2cc(N3CCOCC3)n3nc(-c4cccnc4)cc3n2)NC1c1ccccc1
InChIInChI=1S/C24H23N7O/c1-2-5-18(6-3-1)20-8-10-30(27-20)22-16-24(29-11-13-32-14-12-29)31-23(26-22)15-21(28-31)19-7-4-9-25-17-19/h1-10,15-17,20,27H,11-14H2
InChIKeyUHVIOOXECDUQRM-UHFFFAOYSA-N
MW425.50 g/mol
LogP3.21
Rot. Bonds4

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

4-[5-(5-phenyl-1,5-dihydropyrazol-2-yl)-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine (PubChem CID 166663470) has the molecular formula C24H23N7O and a molecular weight of 425.50 g/mol. Its IUPAC name is 4-[5-(5-phenyl-1,5-dihydropyrazol-2-yl)-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Name4-[5-(5-phenyl-1,5-dihydropyrazol-2-yl)-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
PubChem CID166663470
Molecular FormulaC24H23N7O
Molecular Weight425.50 g/mol
Exact Mass425.20
IUPAC Name4-[5-(5-phenyl-1,5-dihydropyrazol-2-yl)-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESC1=CN(c2cc(N3CCOCC3)n3nc(-c4cccnc4)cc3n2)NC1c1ccccc1
InChIInChI=1S/C24H23N7O/c1-2-5-18(6-3-1)20-8-10-30(27-20)22-16-24(29-11-13-32-14-12-29)31-23(26-22)15-21(28-31)19-7-4-9-25-17-19/h1-10,15-17,20,27H,11-14H2
InChIKeyUHVIOOXECDUQRM-UHFFFAOYSA-N
XLogP3.21
TPSA70.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(5-phenyl-1,5-dihydropyrazol-2-yl)-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The IUPAC name of 4-[5-(5-phenyl-1,5-dihydropyrazol-2-yl)-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine (CID 166663470) is 4-[5-(5-phenyl-1,5-dihydropyrazol-2-yl)-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine.
What is the SMILES notation for 4-[5-(5-phenyl-1,5-dihydropyrazol-2-yl)-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The canonical SMILES for 4-[5-(5-phenyl-1,5-dihydropyrazol-2-yl)-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine is C1=CN(c2cc(N3CCOCC3)n3nc(-c4cccnc4)cc3n2)NC1c1ccccc1.
What is the InChIKey of 4-[5-(5-phenyl-1,5-dihydropyrazol-2-yl)-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The InChIKey is UHVIOOXECDUQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O/c1-2-5-18(6-3-1)20-8-10-30(27-20)22-16-24(29-11-13-32-14-12-29)31-23(26-22)15-21(28-31)19-7-4-9-25-17-19/h1-10,15-17,20,27H,11-14H2.
What are the key properties of 4-[5-(5-phenyl-1,5-dihydropyrazol-2-yl)-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
4-[5-(5-phenyl-1,5-dihydropyrazol-2-yl)-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine has a molecular weight of 425.50 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(5-phenyl-1,5-dihydropyrazol-2-yl)-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 166663470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).