4-[3-(3-pyrazol-1-ylphenyl)-7-pyridin-4-yl-1H-pyrazolo[4,3-d]pyrimidin-5-yl]morpholine

C23H20N8O — CID 168923687

IUPAC4-[3-(3-pyrazol-1-ylphenyl)-7-pyridin-4-yl-1H-pyrazolo[4,3-d]pyrimidin-5-yl]morpholine
SMILESc1cc(-c2n[nH]c3c(-c4ccncc4)nc(N4CCOCC4)nc23)cc(-n2cccn2)c1
InChIInChI=1S/C23H20N8O/c1-3-17(15-18(4-1)31-10-2-7-25-31)20-21-22(29-28-20)19(16-5-8-24-9-6-16)26-23(27-21)30-11-13-32-14-12-30/h1-10,15H,11-14H2,(H,28,29)
InChIKeyFXWFARVOJBSEMA-UHFFFAOYSA-N
MW424.47 g/mol
LogP3.10
Rot. Bonds4

About 4-[3-(3-pyrazol-1-ylphenyl)-7-pyridin-4-yl-1H-pyrazolo[4,3-d]pyrimidin-5-yl]morpholine

4-[3-(3-pyrazol-1-ylphenyl)-7-pyridin-4-yl-1H-pyrazolo[4,3-d]pyrimidin-5-yl]morpholine (PubChem CID 168923687) has the molecular formula C23H20N8O and a molecular weight of 424.47 g/mol. Its IUPAC name is 4-[3-(3-pyrazol-1-ylphenyl)-7-pyridin-4-yl-1H-pyrazolo[4,3-d]pyrimidin-5-yl]morpholine.

Molecular Properties

Compound Name4-[3-(3-pyrazol-1-ylphenyl)-7-pyridin-4-yl-1H-pyrazolo[4,3-d]pyrimidin-5-yl]morpholine
PubChem CID168923687
Molecular FormulaC23H20N8O
Molecular Weight424.47 g/mol
Exact Mass424.18
IUPAC Name4-[3-(3-pyrazol-1-ylphenyl)-7-pyridin-4-yl-1H-pyrazolo[4,3-d]pyrimidin-5-yl]morpholine
SMILESc1cc(-c2n[nH]c3c(-c4ccncc4)nc(N4CCOCC4)nc23)cc(-n2cccn2)c1
InChIInChI=1S/C23H20N8O/c1-3-17(15-18(4-1)31-10-2-7-25-31)20-21-22(29-28-20)19(16-5-8-24-9-6-16)26-23(27-21)30-11-13-32-14-12-30/h1-10,15H,11-14H2,(H,28,29)
InChIKeyFXWFARVOJBSEMA-UHFFFAOYSA-N
XLogP3.10
TPSA97.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.47
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[4-[3,5-difluoro-4-(3-pyrazol-1-ylphenyl)phenyl]-5-methyl-1H-pyrazol-3-yl]pyridine
CID 166490768
1-[3-[3,5-bis(3-pyrazol-1-ylphenyl)phenyl]phenyl]pyrazole
CID 138572768
1-[3-[5-methoxy-2-morpholin-4-yl-6-(pyridin-4-ylamino)pyrimidin-4-yl]phenyl]piperidin-4-ol
CID 168923052
3-(2-morpholin-4-yl-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)phenol
CID 24890625
2-morpholin-4-yl-6-[3-(1H-pyrazol-5-yl)phenyl]pyrimidin-4-amine
CID 29182338
3-(2-morpholin-4-yl-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)benzenesulfinic acid
CID 59244525
6-(2-morpholin-4-yl-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)-1H-indazol-3-amine
CID 71520769
4-(2-phenyl-6-pyrazol-1-ylpyrimidin-4-yl)morpholine
CID 1378888
4-(4-pyridin-4-ylphenyl)morpholine
CID 91005781
3-(5,6-dimethyl-2-morpholin-4-ylpyrimidin-4-yl)phenol
CID 123967937
5-(2-morpholin-4-yl-4-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl)pyrimidin-2-amine
CID 59244878
4-[5-[1-(3-methylphenyl)pyrazol-3-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 163266558

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-pyrazol-1-ylphenyl)-7-pyridin-4-yl-1H-pyrazolo[4,3-d]pyrimidin-5-yl]morpholine?
The IUPAC name of 4-[3-(3-pyrazol-1-ylphenyl)-7-pyridin-4-yl-1H-pyrazolo[4,3-d]pyrimidin-5-yl]morpholine (CID 168923687) is 4-[3-(3-pyrazol-1-ylphenyl)-7-pyridin-4-yl-1H-pyrazolo[4,3-d]pyrimidin-5-yl]morpholine.
What is the SMILES notation for 4-[3-(3-pyrazol-1-ylphenyl)-7-pyridin-4-yl-1H-pyrazolo[4,3-d]pyrimidin-5-yl]morpholine?
The canonical SMILES for 4-[3-(3-pyrazol-1-ylphenyl)-7-pyridin-4-yl-1H-pyrazolo[4,3-d]pyrimidin-5-yl]morpholine is c1cc(-c2n[nH]c3c(-c4ccncc4)nc(N4CCOCC4)nc23)cc(-n2cccn2)c1.
What is the InChIKey of 4-[3-(3-pyrazol-1-ylphenyl)-7-pyridin-4-yl-1H-pyrazolo[4,3-d]pyrimidin-5-yl]morpholine?
The InChIKey is FXWFARVOJBSEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N8O/c1-3-17(15-18(4-1)31-10-2-7-25-31)20-21-22(29-28-20)19(16-5-8-24-9-6-16)26-23(27-21)30-11-13-32-14-12-30/h1-10,15H,11-14H2,(H,28,29).
What are the key properties of 4-[3-(3-pyrazol-1-ylphenyl)-7-pyridin-4-yl-1H-pyrazolo[4,3-d]pyrimidin-5-yl]morpholine?
4-[3-(3-pyrazol-1-ylphenyl)-7-pyridin-4-yl-1H-pyrazolo[4,3-d]pyrimidin-5-yl]morpholine has a molecular weight of 424.47 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-pyrazol-1-ylphenyl)-7-pyridin-4-yl-1H-pyrazolo[4,3-d]pyrimidin-5-yl]morpholine is sourced from PubChem (CID 168923687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).