6-bromo-3-(1-ethylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine

C36H41Br2N15 — CID 159305666

IUPAC6-bromo-3-(1-ethylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCn1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1.Nc1c(Br)c(C2CCCNC2)nc2c(-c3cnn(Cc4ccccn4)c3)cnn12
InChIInChI=1S/C20H21BrN8.C16H20BrN7/c21-17-18(13-4-3-6-23-8-13)27-20-16(10-26-29(20)19(17)22)14-9-25-28(11-14)12-15-5-1-2-7-24-15;1-2-23-9-11(7-20-23)12-8-21-24-15(18)13(17)14(22-16(12)24)10-4-3-5-19-6-10/h1-2,5,7,9-11,13,23H,3-4,6,8,12,22H2;7-10,19H,2-6,18H2,1H3
InChIKeyLBWRKJOKHUPNAS-UHFFFAOYSA-N
MW843.64 g/mol
LogP5.27
Rot. Bonds7

About 6-bromo-3-(1-ethylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine

6-bromo-3-(1-ethylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 159305666) has the molecular formula C36H41Br2N15 and a molecular weight of 843.64 g/mol. Its IUPAC name is 6-bromo-3-(1-ethylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-bromo-3-(1-ethylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID159305666
Molecular FormulaC36H41Br2N15
Molecular Weight843.64 g/mol
Exact Mass841.20
IUPAC Name6-bromo-3-(1-ethylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCn1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1.Nc1c(Br)c(C2CCCNC2)nc2c(-c3cnn(Cc4ccccn4)c3)cnn12
InChIInChI=1S/C20H21BrN8.C16H20BrN7/c21-17-18(13-4-3-6-23-8-13)27-20-16(10-26-29(20)19(17)22)14-9-25-28(11-14)12-15-5-1-2-7-24-15;1-2-23-9-11(7-20-23)12-8-21-24-15(18)13(17)14(22-16(12)24)10-4-3-5-19-6-10/h1-2,5,7,9-11,13,23H,3-4,6,8,12,22H2;7-10,19H,2-6,18H2,1H3
InChIKeyLBWRKJOKHUPNAS-UHFFFAOYSA-N
XLogP5.27
TPSA185.01 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500843.64
LogP ≤ 55.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Analyze 6-bromo-3-(1-ethylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazolo[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-(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)-N-phenyl-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 24815996
3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)-N-(pyridin-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 24824518
N-benzyl-3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 53319377
3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 53324655
1-(cyclopentylmethyl)-3-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-N-methylpyrazolo[3,4-d]pyrimidin-6-amine
CID 145964882
1-(cyclopentylmethyl)-N-methyl-3-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 145965329
3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 137145040

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(1-ethylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-bromo-3-(1-ethylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 159305666) is 6-bromo-3-(1-ethylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-bromo-3-(1-ethylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-bromo-3-(1-ethylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine is CCn1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1.Nc1c(Br)c(C2CCCNC2)nc2c(-c3cnn(Cc4ccccn4)c3)cnn12.
What is the InChIKey of 6-bromo-3-(1-ethylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is LBWRKJOKHUPNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN8.C16H20BrN7/c21-17-18(13-4-3-6-23-8-13)27-20-16(10-26-29(20)19(17)22)14-9-25-28(11-14)12-15-5-1-2-7-24-15;1-2-23-9-11(7-20-23)12-8-21-24-15(18)13(17)14(22-16(12)24)10-4-3-5-19-6-10/h1-2,5,7,9-11,13,23H,3-4,6,8,12,22H2;7-10,19H,2-6,18H2,1H3.
What are the key properties of 6-bromo-3-(1-ethylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
6-bromo-3-(1-ethylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 843.64 g/mol, XLogP of 5.27, 7 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(1-ethylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 159305666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).