3-bromo-5-piperidin-3-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane

C18H23BrN6 — CID 143439224

IUPAC3-bromo-5-piperidin-3-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane
SMILESBrc1cnn2c(Nc3ccncc3)cc(C3CCCNC3)nc12.CC
InChIInChI=1S/C16H17BrN6.C2H6/c17-13-10-20-23-15(21-12-3-6-18-7-4-12)8-14(22-16(13)23)11-2-1-5-19-9-11;1-2/h3-4,6-8,10-11,19H,1-2,5,9H2,(H,18,21);1-2H3
InChIKeyHZKDWYAYQBYSPB-UHFFFAOYSA-N
MW403.33 g/mol
LogP4.12
Rot. Bonds3

About 3-bromo-5-piperidin-3-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane

3-bromo-5-piperidin-3-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane (PubChem CID 143439224) has the molecular formula C18H23BrN6 and a molecular weight of 403.33 g/mol. Its IUPAC name is 3-bromo-5-piperidin-3-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane.

Molecular Properties

Compound Name3-bromo-5-piperidin-3-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane
PubChem CID143439224
Molecular FormulaC18H23BrN6
Molecular Weight403.33 g/mol
Exact Mass402.12
IUPAC Name3-bromo-5-piperidin-3-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane
SMILESBrc1cnn2c(Nc3ccncc3)cc(C3CCCNC3)nc12.CC
InChIInChI=1S/C16H17BrN6.C2H6/c17-13-10-20-23-15(21-12-3-6-18-7-4-12)8-14(22-16(13)23)11-2-1-5-19-9-11;1-2/h3-4,6-8,10-11,19H,1-2,5,9H2,(H,18,21);1-2H3
InChIKeyHZKDWYAYQBYSPB-UHFFFAOYSA-N
XLogP4.12
TPSA67.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.33
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-bromo-7-chloro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine
CID 89363808
3-bromo-N-(5-methylsulfonylcyclohepta-1,6-dien-1-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane
CID 143439816
3-bromo-5-piperidin-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-3-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 159291178
3-bromo-N-(4-methylsulfonylphenyl)-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 10026764
3-bromo-5-propan-2-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 10088111
tert-butyl 3-[3-bromo-7-(4-imidazol-1-ylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate
CID 58604289
3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 24822346
3-bromo-N-[(1-methylbenzimidazol-5-yl)methyl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-methylbenzimidazol-5-yl)methyl]-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;[(1R,2S)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;[(1S,2R)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol
CID 161390291
3-bromo-5-[1-(oxan-4-yl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21067161
N-benzyl-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 71011382
5-[[(3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one
CID 11395520
3-cyclobutyl-7-N-[3-methyl-5-(trifluoromethyl)phenyl]-5-N-piperidin-3-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 155121780

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-piperidin-3-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane?
The IUPAC name of 3-bromo-5-piperidin-3-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane (CID 143439224) is 3-bromo-5-piperidin-3-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane.
What is the SMILES notation for 3-bromo-5-piperidin-3-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane?
The canonical SMILES for 3-bromo-5-piperidin-3-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane is Brc1cnn2c(Nc3ccncc3)cc(C3CCCNC3)nc12.CC.
What is the InChIKey of 3-bromo-5-piperidin-3-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane?
The InChIKey is HZKDWYAYQBYSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN6.C2H6/c17-13-10-20-23-15(21-12-3-6-18-7-4-12)8-14(22-16(13)23)11-2-1-5-19-9-11;1-2/h3-4,6-8,10-11,19H,1-2,5,9H2,(H,18,21);1-2H3.
What are the key properties of 3-bromo-5-piperidin-3-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane?
3-bromo-5-piperidin-3-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane has a molecular weight of 403.33 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-piperidin-3-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane is sourced from PubChem (CID 143439224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).