1-bromo-5-(4-cyclopropyl-2-methoxy-3-pyridinyl)pyrazolo[4,3-d]pyrimidine

C14H12BrN5O — CID 164880946

IUPAC1-bromo-5-(4-cyclopropyl-2-methoxy-3-pyridinyl)pyrazolo[4,3-d]pyrimidine
SMILESCOc1nccc(C2CC2)c1-c1ncc2c(cnn2Br)n1
InChIInChI=1S/C14H12BrN5O/c1-21-14-12(9(4-5-16-14)8-2-3-8)13-17-7-11-10(19-13)6-18-20(11)15/h4-8H,2-3H2,1H3
InChIKeyIPCOKZCEEWPUKP-UHFFFAOYSA-N
MW346.19 g/mol
LogP2.93
Rot. Bonds3

About 1-bromo-5-(4-cyclopropyl-2-methoxy-3-pyridinyl)pyrazolo[4,3-d]pyrimidine

1-bromo-5-(4-cyclopropyl-2-methoxy-3-pyridinyl)pyrazolo[4,3-d]pyrimidine (PubChem CID 164880946) has the molecular formula C14H12BrN5O and a molecular weight of 346.19 g/mol. Its IUPAC name is 1-bromo-5-(4-cyclopropyl-2-methoxy-3-pyridinyl)pyrazolo[4,3-d]pyrimidine.

Molecular Properties

Compound Name1-bromo-5-(4-cyclopropyl-2-methoxy-3-pyridinyl)pyrazolo[4,3-d]pyrimidine
PubChem CID164880946
Molecular FormulaC14H12BrN5O
Molecular Weight346.19 g/mol
Exact Mass345.02
IUPAC Name1-bromo-5-(4-cyclopropyl-2-methoxy-3-pyridinyl)pyrazolo[4,3-d]pyrimidine
SMILESCOc1nccc(C2CC2)c1-c1ncc2c(cnn2Br)n1
InChIInChI=1S/C14H12BrN5O/c1-21-14-12(9(4-5-16-14)8-2-3-8)13-17-7-11-10(19-13)6-18-20(11)15/h4-8H,2-3H2,1H3
InChIKeyIPCOKZCEEWPUKP-UHFFFAOYSA-N
XLogP2.93
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.19
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-(4-cyclopropyl-2-methoxy-3-pyridinyl)pyrazolo[4,3-d]pyrimidine?
The IUPAC name of 1-bromo-5-(4-cyclopropyl-2-methoxy-3-pyridinyl)pyrazolo[4,3-d]pyrimidine (CID 164880946) is 1-bromo-5-(4-cyclopropyl-2-methoxy-3-pyridinyl)pyrazolo[4,3-d]pyrimidine.
What is the SMILES notation for 1-bromo-5-(4-cyclopropyl-2-methoxy-3-pyridinyl)pyrazolo[4,3-d]pyrimidine?
The canonical SMILES for 1-bromo-5-(4-cyclopropyl-2-methoxy-3-pyridinyl)pyrazolo[4,3-d]pyrimidine is COc1nccc(C2CC2)c1-c1ncc2c(cnn2Br)n1.
What is the InChIKey of 1-bromo-5-(4-cyclopropyl-2-methoxy-3-pyridinyl)pyrazolo[4,3-d]pyrimidine?
The InChIKey is IPCOKZCEEWPUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN5O/c1-21-14-12(9(4-5-16-14)8-2-3-8)13-17-7-11-10(19-13)6-18-20(11)15/h4-8H,2-3H2,1H3.
What are the key properties of 1-bromo-5-(4-cyclopropyl-2-methoxy-3-pyridinyl)pyrazolo[4,3-d]pyrimidine?
1-bromo-5-(4-cyclopropyl-2-methoxy-3-pyridinyl)pyrazolo[4,3-d]pyrimidine has a molecular weight of 346.19 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-(4-cyclopropyl-2-methoxy-3-pyridinyl)pyrazolo[4,3-d]pyrimidine is sourced from PubChem (CID 164880946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).