N-(6-methoxy-3-pyridinyl)-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine

C22H17N5O — CID 59662404

IUPACN-(6-methoxy-3-pyridinyl)-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESCOc1ccc(Nc2ccn3ncc(-c4ccc5ccccc5c4)c3n2)cn1
InChIInChI=1S/C22H17N5O/c1-28-21-9-8-18(13-23-21)25-20-10-11-27-22(26-20)19(14-24-27)17-7-6-15-4-2-3-5-16(15)12-17/h2-14H,1H3,(H,25,26)
InChIKeyVHZIIWUQWABATE-UHFFFAOYSA-N
MW367.41 g/mol
LogP4.70
Rot. Bonds4

About N-(6-methoxy-3-pyridinyl)-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine

N-(6-methoxy-3-pyridinyl)-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 59662404) has the molecular formula C22H17N5O and a molecular weight of 367.41 g/mol. Its IUPAC name is N-(6-methoxy-3-pyridinyl)-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN-(6-methoxy-3-pyridinyl)-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID59662404
Molecular FormulaC22H17N5O
Molecular Weight367.41 g/mol
Exact Mass367.14
IUPAC NameN-(6-methoxy-3-pyridinyl)-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESCOc1ccc(Nc2ccn3ncc(-c4ccc5ccccc5c4)c3n2)cn1
InChIInChI=1S/C22H17N5O/c1-28-21-9-8-18(13-23-21)25-20-10-11-27-22(26-20)19(14-24-27)17-7-6-15-4-2-3-5-16(15)12-17/h2-14H,1H3,(H,25,26)
InChIKeyVHZIIWUQWABATE-UHFFFAOYSA-N
XLogP4.70
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3-pyridinyl)-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of N-(6-methoxy-3-pyridinyl)-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine (CID 59662404) is N-(6-methoxy-3-pyridinyl)-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for N-(6-methoxy-3-pyridinyl)-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for N-(6-methoxy-3-pyridinyl)-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine is COc1ccc(Nc2ccn3ncc(-c4ccc5ccccc5c4)c3n2)cn1.
What is the InChIKey of N-(6-methoxy-3-pyridinyl)-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is VHZIIWUQWABATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O/c1-28-21-9-8-18(13-23-21)25-20-10-11-27-22(26-20)19(14-24-27)17-7-6-15-4-2-3-5-16(15)12-17/h2-14H,1H3,(H,25,26).
What are the key properties of N-(6-methoxy-3-pyridinyl)-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine?
N-(6-methoxy-3-pyridinyl)-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 367.41 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-3-pyridinyl)-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 59662404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).