N-(5-bromopyrimidin-2-yl)-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

C19H20BrN9 — CID 24824677

IUPACN-(5-bromopyrimidin-2-yl)-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCn1cc(-c2cnn3c(Nc4ncc(Br)cn4)cc(C4CCCNC4)nc23)cn1
InChIInChI=1S/C19H20BrN9/c1-28-11-13(7-24-28)15-10-25-29-17(27-19-22-8-14(20)9-23-19)5-16(26-18(15)29)12-3-2-4-21-6-12/h5,7-12,21H,2-4,6H2,1H3,(H,22,23,27)
InChIKeyWULFNEVXSJAEMA-UHFFFAOYSA-N
MW454.34 g/mol
LogP2.89
Rot. Bonds4

About N-(5-bromopyrimidin-2-yl)-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

N-(5-bromopyrimidin-2-yl)-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 24824677) has the molecular formula C19H20BrN9 and a molecular weight of 454.34 g/mol. Its IUPAC name is N-(5-bromopyrimidin-2-yl)-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(5-bromopyrimidin-2-yl)-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID24824677
Molecular FormulaC19H20BrN9
Molecular Weight454.34 g/mol
Exact Mass453.10
IUPAC NameN-(5-bromopyrimidin-2-yl)-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCn1cc(-c2cnn3c(Nc4ncc(Br)cn4)cc(C4CCCNC4)nc23)cn1
InChIInChI=1S/C19H20BrN9/c1-28-11-13(7-24-28)15-10-25-29-17(27-19-22-8-14(20)9-23-19)5-16(26-18(15)29)12-3-2-4-21-6-12/h5,7-12,21H,2-4,6H2,1H3,(H,22,23,27)
InChIKeyWULFNEVXSJAEMA-UHFFFAOYSA-N
XLogP2.89
TPSA97.85 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.34
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromopyrimidin-2-yl)-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(5-bromopyrimidin-2-yl)-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 24824677) is N-(5-bromopyrimidin-2-yl)-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(5-bromopyrimidin-2-yl)-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(5-bromopyrimidin-2-yl)-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is Cn1cc(-c2cnn3c(Nc4ncc(Br)cn4)cc(C4CCCNC4)nc23)cn1.
What is the InChIKey of N-(5-bromopyrimidin-2-yl)-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is WULFNEVXSJAEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN9/c1-28-11-13(7-24-28)15-10-25-29-17(27-19-22-8-14(20)9-23-19)5-16(26-18(15)29)12-3-2-4-21-6-12/h5,7-12,21H,2-4,6H2,1H3,(H,22,23,27).
What are the key properties of N-(5-bromopyrimidin-2-yl)-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
N-(5-bromopyrimidin-2-yl)-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 454.34 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopyrimidin-2-yl)-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 24824677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).