5-[3-(4-fluorophenyl)pyrazol-1-yl]-7-piperidin-1-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine

C25H22FN7 — CID 174167117

IUPAC5-[3-(4-fluorophenyl)pyrazol-1-yl]-7-piperidin-1-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
SMILESFc1ccc(-c2ccn(-c3cc(N4CCCCC4)n4nc(-c5ccncc5)cc4n3)n2)cc1
InChIInChI=1S/C25H22FN7/c26-20-6-4-18(5-7-20)21-10-15-32(29-21)23-17-25(31-13-2-1-3-14-31)33-24(28-23)16-22(30-33)19-8-11-27-12-9-19/h4-12,15-17H,1-3,13-14H2
InChIKeyDMXFAAMNKZJQAS-UHFFFAOYSA-N
MW439.50 g/mol
LogP4.77
Rot. Bonds4

About 5-[3-(4-fluorophenyl)pyrazol-1-yl]-7-piperidin-1-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine

5-[3-(4-fluorophenyl)pyrazol-1-yl]-7-piperidin-1-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 174167117) has the molecular formula C25H22FN7 and a molecular weight of 439.50 g/mol. Its IUPAC name is 5-[3-(4-fluorophenyl)pyrazol-1-yl]-7-piperidin-1-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-[3-(4-fluorophenyl)pyrazol-1-yl]-7-piperidin-1-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
PubChem CID174167117
Molecular FormulaC25H22FN7
Molecular Weight439.50 g/mol
Exact Mass439.19
IUPAC Name5-[3-(4-fluorophenyl)pyrazol-1-yl]-7-piperidin-1-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
SMILESFc1ccc(-c2ccn(-c3cc(N4CCCCC4)n4nc(-c5ccncc5)cc4n3)n2)cc1
InChIInChI=1S/C25H22FN7/c26-20-6-4-18(5-7-20)21-10-15-32(29-21)23-17-25(31-13-2-1-3-14-31)33-24(28-23)16-22(30-33)19-8-11-27-12-9-19/h4-12,15-17H,1-3,13-14H2
InChIKeyDMXFAAMNKZJQAS-UHFFFAOYSA-N
XLogP4.77
TPSA64.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.50
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[3-(4-methylphenyl)pyrazol-1-yl]-7-piperidin-1-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 174167126
(2S)-4-[5-[3-(3-methoxyphenyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]-2-methylmorpholine
CID 163266546
2-(1,2-dimethyl-3H-pyrazol-3-yl)-5-(3-phenylpyrazol-1-yl)-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine
CID 167214470
4-[5-(1-phenylpyrazol-3-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 163266677
3-[5-[3-(3-ethylphenyl)pyrazol-1-yl]-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl]-N,N,5-trimethylpyrazol-1-amine
CID 167214186
(3R)-4-[5-[3-(3-methoxyphenyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methylmorpholine
CID 163266624
4-[5-[1-(3-methylphenyl)pyrazol-3-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 163266558
4-[5-[3-(3-methylphenyl)pyrazol-1-yl]-2-(1-oxidopyridin-1-ium-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 163266571
tert-butyl 4-[1-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrazol-3-yl]piperidine-1-carboxylate
CID 168922087
4-[2-(2,5-dimethylpyrazol-3-yl)-5-[3-(3-methylphenyl)pyrazol-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 166064352
2-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5-(oxan-4-yl)-1H-pyrazol-3-one
CID 162379298
2-(4-fluorophenyl)-7-(3-methylpiperidin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine
CID 3229995

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-fluorophenyl)pyrazol-1-yl]-7-piperidin-1-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-[3-(4-fluorophenyl)pyrazol-1-yl]-7-piperidin-1-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine (CID 174167117) is 5-[3-(4-fluorophenyl)pyrazol-1-yl]-7-piperidin-1-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-[3-(4-fluorophenyl)pyrazol-1-yl]-7-piperidin-1-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-[3-(4-fluorophenyl)pyrazol-1-yl]-7-piperidin-1-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine is Fc1ccc(-c2ccn(-c3cc(N4CCCCC4)n4nc(-c5ccncc5)cc4n3)n2)cc1.
What is the InChIKey of 5-[3-(4-fluorophenyl)pyrazol-1-yl]-7-piperidin-1-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is DMXFAAMNKZJQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN7/c26-20-6-4-18(5-7-20)21-10-15-32(29-21)23-17-25(31-13-2-1-3-14-31)33-24(28-23)16-22(30-33)19-8-11-27-12-9-19/h4-12,15-17H,1-3,13-14H2.
What are the key properties of 5-[3-(4-fluorophenyl)pyrazol-1-yl]-7-piperidin-1-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
5-[3-(4-fluorophenyl)pyrazol-1-yl]-7-piperidin-1-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 439.50 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-fluorophenyl)pyrazol-1-yl]-7-piperidin-1-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 174167117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).