5-[2-[5-(4-chlorophenyl)-7-ethylpyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]pyridin-2-amine

C21H16ClN5 — CID 67001026

IUPAC5-[2-[5-(4-chlorophenyl)-7-ethylpyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]pyridin-2-amine
SMILESCCc1cc(-c2ccc(Cl)cc2)nc2c(C#Cc3ccc(N)nc3)cnn12
InChIInChI=1S/C21H16ClN5/c1-2-18-11-19(15-6-8-17(22)9-7-15)26-21-16(13-25-27(18)21)5-3-14-4-10-20(23)24-12-14/h4,6-13H,2H2,1H3,(H2,23,24)
InChIKeyQZSPDMQZRHHFLW-UHFFFAOYSA-N
MW373.85 g/mol
LogP3.99
Rot. Bonds2

About 5-[2-[5-(4-chlorophenyl)-7-ethylpyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]pyridin-2-amine

5-[2-[5-(4-chlorophenyl)-7-ethylpyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]pyridin-2-amine (PubChem CID 67001026) has the molecular formula C21H16ClN5 and a molecular weight of 373.85 g/mol. Its IUPAC name is 5-[2-[5-(4-chlorophenyl)-7-ethylpyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[2-[5-(4-chlorophenyl)-7-ethylpyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]pyridin-2-amine
PubChem CID67001026
Molecular FormulaC21H16ClN5
Molecular Weight373.85 g/mol
Exact Mass373.11
IUPAC Name5-[2-[5-(4-chlorophenyl)-7-ethylpyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]pyridin-2-amine
SMILESCCc1cc(-c2ccc(Cl)cc2)nc2c(C#Cc3ccc(N)nc3)cnn12
InChIInChI=1S/C21H16ClN5/c1-2-18-11-19(15-6-8-17(22)9-7-15)26-21-16(13-25-27(18)21)5-3-14-4-10-20(23)24-12-14/h4,6-13H,2H2,1H3,(H2,23,24)
InChIKeyQZSPDMQZRHHFLW-UHFFFAOYSA-N
XLogP3.99
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.85
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[5-(4-chlorophenyl)-7-ethylpyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]pyridin-2-amine?
The IUPAC name of 5-[2-[5-(4-chlorophenyl)-7-ethylpyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]pyridin-2-amine (CID 67001026) is 5-[2-[5-(4-chlorophenyl)-7-ethylpyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]pyridin-2-amine.
What is the SMILES notation for 5-[2-[5-(4-chlorophenyl)-7-ethylpyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]pyridin-2-amine?
The canonical SMILES for 5-[2-[5-(4-chlorophenyl)-7-ethylpyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]pyridin-2-amine is CCc1cc(-c2ccc(Cl)cc2)nc2c(C#Cc3ccc(N)nc3)cnn12.
What is the InChIKey of 5-[2-[5-(4-chlorophenyl)-7-ethylpyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]pyridin-2-amine?
The InChIKey is QZSPDMQZRHHFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN5/c1-2-18-11-19(15-6-8-17(22)9-7-15)26-21-16(13-25-27(18)21)5-3-14-4-10-20(23)24-12-14/h4,6-13H,2H2,1H3,(H2,23,24).
What are the key properties of 5-[2-[5-(4-chlorophenyl)-7-ethylpyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]pyridin-2-amine?
5-[2-[5-(4-chlorophenyl)-7-ethylpyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]pyridin-2-amine has a molecular weight of 373.85 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[5-(4-chlorophenyl)-7-ethylpyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]pyridin-2-amine is sourced from PubChem (CID 67001026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).