3-(4-chlorophenyl)-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine

C17H11ClN4 — CID 1472858

IUPAC3-(4-chlorophenyl)-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
SMILESClc1ccc(-c2cnn3c(-c4ccncc4)ccnc23)cc1
InChIInChI=1S/C17H11ClN4/c18-14-3-1-12(2-4-14)15-11-21-22-16(7-10-20-17(15)22)13-5-8-19-9-6-13/h1-11H
InChIKeyRYISQSLNPJNSPR-UHFFFAOYSA-N
MW306.76 g/mol
LogP4.11
Rot. Bonds2

About 3-(4-chlorophenyl)-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine

3-(4-chlorophenyl)-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 1472858) has the molecular formula C17H11ClN4 and a molecular weight of 306.76 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
PubChem CID1472858
Molecular FormulaC17H11ClN4
Molecular Weight306.76 g/mol
Exact Mass306.07
IUPAC Name3-(4-chlorophenyl)-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
SMILESClc1ccc(-c2cnn3c(-c4ccncc4)ccnc23)cc1
InChIInChI=1S/C17H11ClN4/c18-14-3-1-12(2-4-14)15-11-21-22-16(7-10-20-17(15)22)13-5-8-19-9-6-13/h1-11H
InChIKeyRYISQSLNPJNSPR-UHFFFAOYSA-N
XLogP4.11
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.76
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-Chlorophenyl)-1-(1,1-dimethylethyl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 4878
Amdizalisib
CID 118981804
5-Cyclopropyl-2-(1-((2-fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)-4-pyrimidinamine
CID 9798973
Decoglurant
CID 71533696
R121919
CID 9821250
2-(4-Chlorobenzylamino)-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
CID 24779676
4-(4-chlorobenzyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)piperidin-4-amine
CID 17751819
1-(5-(4-chlorophenyl)-4-(4-pyridinyl)-1H-pyrazol-3-yl)-4-methylpiperazine
CID 15541506
2-(4-Chlorophenyl)(1,2,4)triazolo(5,1-a)isoquinoline
CID 68866
Pyrazolo[1,5-b]pyridazine deriv. 30
CID 6539372
Pyrazolo[1,5-b]pyridazine deriv. 36
CID 6539378
1-Tert-Butyl-3-[(3-Chlorophenyl)methyl]-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 59633494

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(4-chlorophenyl)-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine (CID 1472858) is 3-(4-chlorophenyl)-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(4-chlorophenyl)-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(4-chlorophenyl)-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine is Clc1ccc(-c2cnn3c(-c4ccncc4)ccnc23)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is RYISQSLNPJNSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN4/c18-14-3-1-12(2-4-14)15-11-21-22-16(7-10-20-17(15)22)13-5-8-19-9-6-13/h1-11H.
What are the key properties of 3-(4-chlorophenyl)-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
3-(4-chlorophenyl)-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 306.76 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 1472858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).