5-[7-amino-5-[1-[2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]ethyl]piperidin-3-yl]-6-bromopyrazolo[1,5-a]pyrimidin-3-yl]pyridine-3-carbonitrile

C33H34Br2N14 — CID 71198985

IUPAC5-[7-amino-5-[1-[2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]ethyl]piperidin-3-yl]-6-bromopyrazolo[1,5-a]pyrimidin-3-yl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2cnn3c(N)c(Br)c(C4CCCN(CCn5cc(-c6cnn7c(N)c(Br)c(C8CCCNC8)nc67)cn5)C4)nc23)c1
InChIInChI=1S/C33H34Br2N14/c34-26-28(20-3-1-5-39-12-20)44-33-25(16-43-49(33)30(26)37)23-14-41-47(18-23)8-7-46-6-2-4-21(17-46)29-27(35)31(38)48-32(45-29)24(15-42-48)22-9-19(10-36)11-40-13-22/h9,11,13-16,18,20-21,39H,1-8,12,17,37-38H2
InChIKeyNTNWRWAFZIZWCS-UHFFFAOYSA-N
MW786.54 g/mol
LogP4.61
Rot. Bonds7

About 5-[7-amino-5-[1-[2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]ethyl]piperidin-3-yl]-6-bromopyrazolo[1,5-a]pyrimidin-3-yl]pyridine-3-carbonitrile

5-[7-amino-5-[1-[2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]ethyl]piperidin-3-yl]-6-bromopyrazolo[1,5-a]pyrimidin-3-yl]pyridine-3-carbonitrile (PubChem CID 71198985) has the molecular formula C33H34Br2N14 and a molecular weight of 786.54 g/mol. Its IUPAC name is 5-[7-amino-5-[1-[2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]ethyl]piperidin-3-yl]-6-bromopyrazolo[1,5-a]pyrimidin-3-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[7-amino-5-[1-[2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]ethyl]piperidin-3-yl]-6-bromopyrazolo[1,5-a]pyrimidin-3-yl]pyridine-3-carbonitrile
PubChem CID71198985
Molecular FormulaC33H34Br2N14
Molecular Weight786.54 g/mol
Exact Mass784.15
IUPAC Name5-[7-amino-5-[1-[2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]ethyl]piperidin-3-yl]-6-bromopyrazolo[1,5-a]pyrimidin-3-yl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2cnn3c(N)c(Br)c(C4CCCN(CCn5cc(-c6cnn7c(N)c(Br)c(C8CCCNC8)nc67)cn5)C4)nc23)c1
InChIInChI=1S/C33H34Br2N14/c34-26-28(20-3-1-5-39-12-20)44-33-25(16-43-49(33)30(26)37)23-14-41-47(18-23)8-7-46-6-2-4-21(17-46)29-27(35)31(38)48-32(45-29)24(15-42-48)22-9-19(10-36)11-40-13-22/h9,11,13-16,18,20-21,39H,1-8,12,17,37-38H2
InChIKeyNTNWRWAFZIZWCS-UHFFFAOYSA-N
XLogP4.61
TPSA182.19 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500786.54
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze 5-[7-amino-5-[1-[2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]ethyl]piperidin-3-yl]-6-bromopyrazolo[1,5-a]pyrimidin-3-yl]pyridine-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[7-amino-5-[1-[2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]ethyl]piperidin-3-yl]-6-bromopyrazolo[1,5-a]pyrimidin-3-yl]pyridine-3-carbonitrile?
The IUPAC name of 5-[7-amino-5-[1-[2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]ethyl]piperidin-3-yl]-6-bromopyrazolo[1,5-a]pyrimidin-3-yl]pyridine-3-carbonitrile (CID 71198985) is 5-[7-amino-5-[1-[2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]ethyl]piperidin-3-yl]-6-bromopyrazolo[1,5-a]pyrimidin-3-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[7-amino-5-[1-[2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]ethyl]piperidin-3-yl]-6-bromopyrazolo[1,5-a]pyrimidin-3-yl]pyridine-3-carbonitrile?
The canonical SMILES for 5-[7-amino-5-[1-[2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]ethyl]piperidin-3-yl]-6-bromopyrazolo[1,5-a]pyrimidin-3-yl]pyridine-3-carbonitrile is N#Cc1cncc(-c2cnn3c(N)c(Br)c(C4CCCN(CCn5cc(-c6cnn7c(N)c(Br)c(C8CCCNC8)nc67)cn5)C4)nc23)c1.
What is the InChIKey of 5-[7-amino-5-[1-[2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]ethyl]piperidin-3-yl]-6-bromopyrazolo[1,5-a]pyrimidin-3-yl]pyridine-3-carbonitrile?
The InChIKey is NTNWRWAFZIZWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34Br2N14/c34-26-28(20-3-1-5-39-12-20)44-33-25(16-43-49(33)30(26)37)23-14-41-47(18-23)8-7-46-6-2-4-21(17-46)29-27(35)31(38)48-32(45-29)24(15-42-48)22-9-19(10-36)11-40-13-22/h9,11,13-16,18,20-21,39H,1-8,12,17,37-38H2.
What are the key properties of 5-[7-amino-5-[1-[2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]ethyl]piperidin-3-yl]-6-bromopyrazolo[1,5-a]pyrimidin-3-yl]pyridine-3-carbonitrile?
5-[7-amino-5-[1-[2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]ethyl]piperidin-3-yl]-6-bromopyrazolo[1,5-a]pyrimidin-3-yl]pyridine-3-carbonitrile has a molecular weight of 786.54 g/mol, XLogP of 4.61, 7 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-amino-5-[1-[2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]ethyl]piperidin-3-yl]-6-bromopyrazolo[1,5-a]pyrimidin-3-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 71198985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).