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

C48H51Br3N18 — CID 142869840

IUPAC3-bromo-5-piperidin-3-yl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-3-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-4-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESBrc1cnn2c(Nc3cccnc3)cc(C3CCCNC3)nc12.Brc1cnn2c(Nc3ccncc3)cc(C3CCCNC3)nc12.Brc1cnn2c(Nc3ccncc3)cc(C3CCNCC3)nc12
InChIInChI=1S/3C16H17BrN6/c17-13-10-20-23-15(21-12-3-7-19-8-4-12)9-14(22-16(13)23)11-1-5-18-6-2-11;17-13-10-20-23-15(21-12-4-2-6-19-9-12)7-14(22-16(13)23)11-3-1-5-18-8-11;17-13-10-20-23-15(21-12-3-6-18-7-4-12)8-14(22-16(13)23)11-2-1-5-19-9-11/h3-4,7-11,18H,1-2,5-6H2,(H,19,21);2,4,6-7,9-11,18,21H,1,3,5,8H2;3-4,6-8,10-11,19H,1-2,5,9H2,(H,18,21)
InChIKeyUFVSSLTURSXGQO-UHFFFAOYSA-N
MW1119.77 g/mol
LogP9.29
Rot. Bonds9

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

3-bromo-5-piperidin-3-yl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-3-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-4-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 142869840) has the molecular formula C48H51Br3N18 and a molecular weight of 1119.77 g/mol. Its IUPAC name is 3-bromo-5-piperidin-3-yl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-3-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-4-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-bromo-5-piperidin-3-yl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-3-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-4-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID142869840
Molecular FormulaC48H51Br3N18
Molecular Weight1119.77 g/mol
Exact Mass1116.21
IUPAC Name3-bromo-5-piperidin-3-yl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-3-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-4-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESBrc1cnn2c(Nc3cccnc3)cc(C3CCCNC3)nc12.Brc1cnn2c(Nc3ccncc3)cc(C3CCCNC3)nc12.Brc1cnn2c(Nc3ccncc3)cc(C3CCNCC3)nc12
InChIInChI=1S/3C16H17BrN6/c17-13-10-20-23-15(21-12-3-7-19-8-4-12)9-14(22-16(13)23)11-1-5-18-6-2-11;17-13-10-20-23-15(21-12-4-2-6-19-9-12)7-14(22-16(13)23)11-3-1-5-18-8-11;17-13-10-20-23-15(21-12-3-6-18-7-4-12)8-14(22-16(13)23)11-2-1-5-19-9-11/h3-4,7-11,18H,1-2,5-6H2,(H,19,21);2,4,6-7,9-11,18,21H,1,3,5,8H2;3-4,6-8,10-11,19H,1-2,5,9H2,(H,18,21)
InChIKeyUFVSSLTURSXGQO-UHFFFAOYSA-N
XLogP9.29
TPSA201.42 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001119.77
LogP ≤ 59.29
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

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

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Launch Full Analysis

Related Compounds

3-bromo-5-(piperidin-4-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 11303752
3-bromo-5-(piperidin-3-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 11395082
3-bromo-5-cyclohexyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 11429096
3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)-6-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224162
3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)-6-(pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224368
6-Bromo-5-(piperidin-3-yl)-3-(pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224747
3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)-N-(pyridin-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 24824518
3-(6-(Pyridin-2-ylmethylamino)pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 44159959
8-cyclopentyl-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,10,11-pentazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 58300060
3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1-methylpyrazol-3-yl)-6-pyrimidin-5-ylimidazo[1,2-a]pyridin-2-amine
CID 62706471
6-(2,5-Diazabicyclo[2.2.1]heptan-2-yl)-2-phenyl-3-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 68517752
N-[6-[4-(dimethylamino)piperidin-1-yl]pyridazin-3-yl]-8-(4-methylcyclohexyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 77107163

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-piperidin-3-yl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-3-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-4-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-bromo-5-piperidin-3-yl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-3-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-4-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 142869840) is 3-bromo-5-piperidin-3-yl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-3-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-4-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-bromo-5-piperidin-3-yl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-3-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-4-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-bromo-5-piperidin-3-yl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-3-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-4-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine is Brc1cnn2c(Nc3cccnc3)cc(C3CCCNC3)nc12.Brc1cnn2c(Nc3ccncc3)cc(C3CCCNC3)nc12.Brc1cnn2c(Nc3ccncc3)cc(C3CCNCC3)nc12.
What is the InChIKey of 3-bromo-5-piperidin-3-yl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-3-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-4-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is UFVSSLTURSXGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/3C16H17BrN6/c17-13-10-20-23-15(21-12-3-7-19-8-4-12)9-14(22-16(13)23)11-1-5-18-6-2-11;17-13-10-20-23-15(21-12-4-2-6-19-9-12)7-14(22-16(13)23)11-3-1-5-18-8-11;17-13-10-20-23-15(21-12-3-6-18-7-4-12)8-14(22-16(13)23)11-2-1-5-19-9-11/h3-4,7-11,18H,1-2,5-6H2,(H,19,21);2,4,6-7,9-11,18,21H,1,3,5,8H2;3-4,6-8,10-11,19H,1-2,5,9H2,(H,18,21).
What are the key properties of 3-bromo-5-piperidin-3-yl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-3-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-4-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine?
3-bromo-5-piperidin-3-yl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-3-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-4-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 1119.77 g/mol, XLogP of 9.29, 9 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-piperidin-3-yl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-3-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-4-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 142869840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).