3-(5-chloro-2-methoxy-4-pyridinyl)pyrazolo[1,5-a]pyrimidine

C12H9ClN4O — CID 72892584

IUPAC3-(5-chloro-2-methoxy-4-pyridinyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1cc(-c2cnn3cccnc23)c(Cl)cn1
InChIInChI=1S/C12H9ClN4O/c1-18-11-5-8(10(13)7-15-11)9-6-16-17-4-2-3-14-12(9)17/h2-7H,1H3
InChIKeyMLUWSZXIYSKANH-UHFFFAOYSA-N
MW260.68 g/mol
LogP2.45
Rot. Bonds2

About 3-(5-chloro-2-methoxy-4-pyridinyl)pyrazolo[1,5-a]pyrimidine

3-(5-chloro-2-methoxy-4-pyridinyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 72892584) has the molecular formula C12H9ClN4O and a molecular weight of 260.68 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxy-4-pyridinyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(5-chloro-2-methoxy-4-pyridinyl)pyrazolo[1,5-a]pyrimidine
PubChem CID72892584
Molecular FormulaC12H9ClN4O
Molecular Weight260.68 g/mol
Exact Mass260.05
IUPAC Name3-(5-chloro-2-methoxy-4-pyridinyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1cc(-c2cnn3cccnc23)c(Cl)cn1
InChIInChI=1S/C12H9ClN4O/c1-18-11-5-8(10(13)7-15-11)9-6-16-17-4-2-3-14-12(9)17/h2-7H,1H3
InChIKeyMLUWSZXIYSKANH-UHFFFAOYSA-N
XLogP2.45
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.68
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxy-4-pyridinyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(5-chloro-2-methoxy-4-pyridinyl)pyrazolo[1,5-a]pyrimidine (CID 72892584) is 3-(5-chloro-2-methoxy-4-pyridinyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(5-chloro-2-methoxy-4-pyridinyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(5-chloro-2-methoxy-4-pyridinyl)pyrazolo[1,5-a]pyrimidine is COc1cc(-c2cnn3cccnc23)c(Cl)cn1.
What is the InChIKey of 3-(5-chloro-2-methoxy-4-pyridinyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is MLUWSZXIYSKANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4O/c1-18-11-5-8(10(13)7-15-11)9-6-16-17-4-2-3-14-12(9)17/h2-7H,1H3.
What are the key properties of 3-(5-chloro-2-methoxy-4-pyridinyl)pyrazolo[1,5-a]pyrimidine?
3-(5-chloro-2-methoxy-4-pyridinyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 260.68 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxy-4-pyridinyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 72892584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).