3-naphthalen-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine

C22H17N5 — CID 59662448

IUPAC3-naphthalen-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESc1cncc(CNc2ccn3ncc(-c4ccc5ccccc5c4)c3n2)c1
InChIInChI=1S/C22H17N5/c1-2-6-18-12-19(8-7-17(18)5-1)20-15-25-27-11-9-21(26-22(20)27)24-14-16-4-3-10-23-13-16/h1-13,15H,14H2,(H,24,26)
InChIKeyWTJIDWOBNGLCKI-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.56
Rot. Bonds4

About 3-naphthalen-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine

3-naphthalen-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 59662448) has the molecular formula C22H17N5 and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-naphthalen-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound Name3-naphthalen-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID59662448
Molecular FormulaC22H17N5
Molecular Weight351.41 g/mol
Exact Mass351.15
IUPAC Name3-naphthalen-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESc1cncc(CNc2ccn3ncc(-c4ccc5ccccc5c4)c3n2)c1
InChIInChI=1S/C22H17N5/c1-2-6-18-12-19(8-7-17(18)5-1)20-15-25-27-11-9-21(26-22(20)27)24-14-16-4-3-10-23-13-16/h1-13,15H,14H2,(H,24,26)
InChIKeyWTJIDWOBNGLCKI-UHFFFAOYSA-N
XLogP4.56
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of 3-naphthalen-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine (CID 59662448) is 3-naphthalen-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for 3-naphthalen-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for 3-naphthalen-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine is c1cncc(CNc2ccn3ncc(-c4ccc5ccccc5c4)c3n2)c1.
What is the InChIKey of 3-naphthalen-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is WTJIDWOBNGLCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5/c1-2-6-18-12-19(8-7-17(18)5-1)20-15-25-27-11-9-21(26-22(20)27)24-14-16-4-3-10-23-13-16/h1-13,15H,14H2,(H,24,26).
What are the key properties of 3-naphthalen-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine?
3-naphthalen-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 351.41 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 59662448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).