6-bromo-3-(6-methoxy-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

C17H19BrN6O — CID 16666504

IUPAC6-bromo-3-(6-methoxy-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1
InChIInChI=1S/C17H19BrN6O/c1-25-13-5-4-10(8-21-13)12-9-22-24-16(19)14(18)15(23-17(12)24)11-3-2-6-20-7-11/h4-5,8-9,11,20H,2-3,6-7,19H2,1H3
InChIKeyBFSIEHRNOVCORC-UHFFFAOYSA-N
MW403.28 g/mol
LogP2.61
Rot. Bonds3

About 6-bromo-3-(6-methoxy-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

6-bromo-3-(6-methoxy-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 16666504) has the molecular formula C17H19BrN6O and a molecular weight of 403.28 g/mol. Its IUPAC name is 6-bromo-3-(6-methoxy-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-bromo-3-(6-methoxy-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID16666504
Molecular FormulaC17H19BrN6O
Molecular Weight403.28 g/mol
Exact Mass402.08
IUPAC Name6-bromo-3-(6-methoxy-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1
InChIInChI=1S/C17H19BrN6O/c1-25-13-5-4-10(8-21-13)12-9-22-24-16(19)14(18)15(23-17(12)24)11-3-2-6-20-7-11/h4-5,8-9,11,20H,2-3,6-7,19H2,1H3
InChIKeyBFSIEHRNOVCORC-UHFFFAOYSA-N
XLogP2.61
TPSA90.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.28
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(6-methoxy-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-bromo-3-(6-methoxy-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 16666504) is 6-bromo-3-(6-methoxy-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-bromo-3-(6-methoxy-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-bromo-3-(6-methoxy-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is COc1ccc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1.
What is the InChIKey of 6-bromo-3-(6-methoxy-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is BFSIEHRNOVCORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN6O/c1-25-13-5-4-10(8-21-13)12-9-22-24-16(19)14(18)15(23-17(12)24)11-3-2-6-20-7-11/h4-5,8-9,11,20H,2-3,6-7,19H2,1H3.
What are the key properties of 6-bromo-3-(6-methoxy-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
6-bromo-3-(6-methoxy-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 403.28 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(6-methoxy-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 16666504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).