4-(7-phenylpyrazolo[1,5-a]pyrimidin-2-yl)-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine

C23H24N6 — CID 141184057

IUPAC4-(7-phenylpyrazolo[1,5-a]pyrimidin-2-yl)-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
SMILESc1ccc(-c2ccnc3cc(-c4ccnc(NCCN5CCCC5)c4)nn23)cc1
InChIInChI=1S/C23H24N6/c1-2-6-18(7-3-1)21-9-11-26-23-17-20(27-29(21)23)19-8-10-24-22(16-19)25-12-15-28-13-4-5-14-28/h1-3,6-11,16-17H,4-5,12-15H2,(H,24,25)
InChIKeyZQWSIMPZMVIMPG-UHFFFAOYSA-N
MW384.49 g/mol
LogP3.97
Rot. Bonds6

About 4-(7-phenylpyrazolo[1,5-a]pyrimidin-2-yl)-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine

4-(7-phenylpyrazolo[1,5-a]pyrimidin-2-yl)-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine (PubChem CID 141184057) has the molecular formula C23H24N6 and a molecular weight of 384.49 g/mol. Its IUPAC name is 4-(7-phenylpyrazolo[1,5-a]pyrimidin-2-yl)-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine.

Molecular Properties

Compound Name4-(7-phenylpyrazolo[1,5-a]pyrimidin-2-yl)-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
PubChem CID141184057
Molecular FormulaC23H24N6
Molecular Weight384.49 g/mol
Exact Mass384.21
IUPAC Name4-(7-phenylpyrazolo[1,5-a]pyrimidin-2-yl)-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
SMILESc1ccc(-c2ccnc3cc(-c4ccnc(NCCN5CCCC5)c4)nn23)cc1
InChIInChI=1S/C23H24N6/c1-2-6-18(7-3-1)21-9-11-26-23-17-20(27-29(21)23)19-8-10-24-22(16-19)25-12-15-28-13-4-5-14-28/h1-3,6-11,16-17H,4-5,12-15H2,(H,24,25)
InChIKeyZQWSIMPZMVIMPG-UHFFFAOYSA-N
XLogP3.97
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.49
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(7-phenylpyrazolo[1,5-a]pyrimidin-2-yl)-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine?
The IUPAC name of 4-(7-phenylpyrazolo[1,5-a]pyrimidin-2-yl)-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine (CID 141184057) is 4-(7-phenylpyrazolo[1,5-a]pyrimidin-2-yl)-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine.
What is the SMILES notation for 4-(7-phenylpyrazolo[1,5-a]pyrimidin-2-yl)-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine?
The canonical SMILES for 4-(7-phenylpyrazolo[1,5-a]pyrimidin-2-yl)-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine is c1ccc(-c2ccnc3cc(-c4ccnc(NCCN5CCCC5)c4)nn23)cc1.
What is the InChIKey of 4-(7-phenylpyrazolo[1,5-a]pyrimidin-2-yl)-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine?
The InChIKey is ZQWSIMPZMVIMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6/c1-2-6-18(7-3-1)21-9-11-26-23-17-20(27-29(21)23)19-8-10-24-22(16-19)25-12-15-28-13-4-5-14-28/h1-3,6-11,16-17H,4-5,12-15H2,(H,24,25).
What are the key properties of 4-(7-phenylpyrazolo[1,5-a]pyrimidin-2-yl)-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine?
4-(7-phenylpyrazolo[1,5-a]pyrimidin-2-yl)-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine has a molecular weight of 384.49 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-phenylpyrazolo[1,5-a]pyrimidin-2-yl)-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine is sourced from PubChem (CID 141184057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).