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

C20H27BrN8O — CID 71108776

IUPAC6-bromo-N-(2-morpholin-4-ylethyl)-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESBrc1c(C2CCCNC2)nc2c(-c3cn[nH]c3)cnn2c1NCCN1CCOCC1
InChIInChI=1S/C20H27BrN8O/c21-17-18(14-2-1-3-22-10-14)27-19-16(15-11-24-25-12-15)13-26-29(19)20(17)23-4-5-28-6-8-30-9-7-28/h11-14,22-23H,1-10H2,(H,24,25)
InChIKeyDRDHYYLZOZVYKH-UHFFFAOYSA-N
MW475.40 g/mol
LogP2.09
Rot. Bonds6

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

6-bromo-N-(2-morpholin-4-ylethyl)-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 71108776) has the molecular formula C20H27BrN8O and a molecular weight of 475.40 g/mol. Its IUPAC name is 6-bromo-N-(2-morpholin-4-ylethyl)-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-bromo-N-(2-morpholin-4-ylethyl)-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID71108776
Molecular FormulaC20H27BrN8O
Molecular Weight475.40 g/mol
Exact Mass474.15
IUPAC Name6-bromo-N-(2-morpholin-4-ylethyl)-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESBrc1c(C2CCCNC2)nc2c(-c3cn[nH]c3)cnn2c1NCCN1CCOCC1
InChIInChI=1S/C20H27BrN8O/c21-17-18(14-2-1-3-22-10-14)27-19-16(15-11-24-25-12-15)13-26-29(19)20(17)23-4-5-28-6-8-30-9-7-28/h11-14,22-23H,1-10H2,(H,24,25)
InChIKeyDRDHYYLZOZVYKH-UHFFFAOYSA-N
XLogP2.09
TPSA95.40 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.40
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2-morpholin-4-ylethyl)-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-bromo-N-(2-morpholin-4-ylethyl)-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 71108776) is 6-bromo-N-(2-morpholin-4-ylethyl)-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-bromo-N-(2-morpholin-4-ylethyl)-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-bromo-N-(2-morpholin-4-ylethyl)-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is Brc1c(C2CCCNC2)nc2c(-c3cn[nH]c3)cnn2c1NCCN1CCOCC1.
What is the InChIKey of 6-bromo-N-(2-morpholin-4-ylethyl)-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is DRDHYYLZOZVYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27BrN8O/c21-17-18(14-2-1-3-22-10-14)27-19-16(15-11-24-25-12-15)13-26-29(19)20(17)23-4-5-28-6-8-30-9-7-28/h11-14,22-23H,1-10H2,(H,24,25).
What are the key properties of 6-bromo-N-(2-morpholin-4-ylethyl)-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
6-bromo-N-(2-morpholin-4-ylethyl)-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 475.40 g/mol, XLogP of 2.09, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2-morpholin-4-ylethyl)-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 71108776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).