6-bromo-5-piperidin-2-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

C14H16BrN7 — CID 71108599

IUPAC6-bromo-5-piperidin-2-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1c(Br)c(C2CCCCN2)nc2c(-c3cn[nH]c3)cnn12
InChIInChI=1S/C14H16BrN7/c15-11-12(10-3-1-2-4-17-10)21-14-9(8-5-18-19-6-8)7-20-22(14)13(11)16/h5-7,10,17H,1-4,16H2,(H,18,19)
InChIKeyPSPCOMOKFZBFOE-UHFFFAOYSA-N
MW362.24 g/mol
LogP2.28
Rot. Bonds2

About 6-bromo-5-piperidin-2-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

6-bromo-5-piperidin-2-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 71108599) has the molecular formula C14H16BrN7 and a molecular weight of 362.24 g/mol. Its IUPAC name is 6-bromo-5-piperidin-2-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-bromo-5-piperidin-2-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID71108599
Molecular FormulaC14H16BrN7
Molecular Weight362.24 g/mol
Exact Mass361.07
IUPAC Name6-bromo-5-piperidin-2-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1c(Br)c(C2CCCCN2)nc2c(-c3cn[nH]c3)cnn12
InChIInChI=1S/C14H16BrN7/c15-11-12(10-3-1-2-4-17-10)21-14-9(8-5-18-19-6-8)7-20-22(14)13(11)16/h5-7,10,17H,1-4,16H2,(H,18,19)
InChIKeyPSPCOMOKFZBFOE-UHFFFAOYSA-N
XLogP2.28
TPSA96.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.24
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-piperidin-2-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-bromo-5-piperidin-2-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 71108599) is 6-bromo-5-piperidin-2-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-bromo-5-piperidin-2-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-bromo-5-piperidin-2-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is Nc1c(Br)c(C2CCCCN2)nc2c(-c3cn[nH]c3)cnn12.
What is the InChIKey of 6-bromo-5-piperidin-2-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is PSPCOMOKFZBFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN7/c15-11-12(10-3-1-2-4-17-10)21-14-9(8-5-18-19-6-8)7-20-22(14)13(11)16/h5-7,10,17H,1-4,16H2,(H,18,19).
What are the key properties of 6-bromo-5-piperidin-2-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
6-bromo-5-piperidin-2-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 362.24 g/mol, XLogP of 2.28, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-piperidin-2-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 71108599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).