3-bromo-5-(2-chlorophenyl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

C18H19BrClN5 — CID 71205395

IUPAC3-bromo-5-(2-chlorophenyl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCN1CCC(Nc2cc(-c3ccccc3Cl)nc3c(Br)cnn23)CC1
InChIInChI=1S/C18H19BrClN5/c1-24-8-6-12(7-9-24)22-17-10-16(13-4-2-3-5-15(13)20)23-18-14(19)11-21-25(17)18/h2-5,10-12,22H,6-9H2,1H3
InChIKeyAKVZRGPGEPDJAA-UHFFFAOYSA-N
MW420.74 g/mol
LogP4.32
Rot. Bonds3

About 3-bromo-5-(2-chlorophenyl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

3-bromo-5-(2-chlorophenyl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 71205395) has the molecular formula C18H19BrClN5 and a molecular weight of 420.74 g/mol. Its IUPAC name is 3-bromo-5-(2-chlorophenyl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-bromo-5-(2-chlorophenyl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID71205395
Molecular FormulaC18H19BrClN5
Molecular Weight420.74 g/mol
Exact Mass419.05
IUPAC Name3-bromo-5-(2-chlorophenyl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCN1CCC(Nc2cc(-c3ccccc3Cl)nc3c(Br)cnn23)CC1
InChIInChI=1S/C18H19BrClN5/c1-24-8-6-12(7-9-24)22-17-10-16(13-4-2-3-5-15(13)20)23-18-14(19)11-21-25(17)18/h2-5,10-12,22H,6-9H2,1H3
InChIKeyAKVZRGPGEPDJAA-UHFFFAOYSA-N
XLogP4.32
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.74
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(2-chlorophenyl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-bromo-5-(2-chlorophenyl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 71205395) is 3-bromo-5-(2-chlorophenyl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-bromo-5-(2-chlorophenyl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-bromo-5-(2-chlorophenyl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is CN1CCC(Nc2cc(-c3ccccc3Cl)nc3c(Br)cnn23)CC1.
What is the InChIKey of 3-bromo-5-(2-chlorophenyl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is AKVZRGPGEPDJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrClN5/c1-24-8-6-12(7-9-24)22-17-10-16(13-4-2-3-5-15(13)20)23-18-14(19)11-21-25(17)18/h2-5,10-12,22H,6-9H2,1H3.
What are the key properties of 3-bromo-5-(2-chlorophenyl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
3-bromo-5-(2-chlorophenyl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 420.74 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(2-chlorophenyl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 71205395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).