5-[6-[(Z)-2-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethenyl]morpholin-2-yl]-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

C27H31BrN12O — CID 143891352

IUPAC5-[6-[(Z)-2-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethenyl]morpholin-2-yl]-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCn1cc(-c2cnn3c(N)c(Br)c(C4CNCC(/C=C\c5cnn6c(N)cc(C7CCCNC7)nc56)O4)nc23)cn1
InChIInChI=1S/C27H31BrN12O/c1-38-14-17(10-33-38)19-12-35-40-25(30)23(28)24(37-27(19)40)21-13-32-11-18(41-21)5-4-16-9-34-39-22(29)7-20(36-26(16)39)15-3-2-6-31-8-15/h4-5,7,9-10,12,14-15,18,21,31-32H,2-3,6,8,11,13,29-30H2,1H3/b5-4-
InChIKeyOCXMEPDBAOBKGG-PLNGDYQASA-N
MW619.53 g/mol
LogP2.31
Rot. Bonds5

About 5-[6-[(Z)-2-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethenyl]morpholin-2-yl]-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

5-[6-[(Z)-2-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethenyl]morpholin-2-yl]-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 143891352) has the molecular formula C27H31BrN12O and a molecular weight of 619.53 g/mol. Its IUPAC name is 5-[6-[(Z)-2-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethenyl]morpholin-2-yl]-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-[6-[(Z)-2-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethenyl]morpholin-2-yl]-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID143891352
Molecular FormulaC27H31BrN12O
Molecular Weight619.53 g/mol
Exact Mass618.19
IUPAC Name5-[6-[(Z)-2-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethenyl]morpholin-2-yl]-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCn1cc(-c2cnn3c(N)c(Br)c(C4CNCC(/C=C\c5cnn6c(N)cc(C7CCCNC7)nc56)O4)nc23)cn1
InChIInChI=1S/C27H31BrN12O/c1-38-14-17(10-33-38)19-12-35-40-25(30)23(28)24(37-27(19)40)21-13-32-11-18(41-21)5-4-16-9-34-39-22(29)7-20(36-26(16)39)15-3-2-6-31-8-15/h4-5,7,9-10,12,14-15,18,21,31-32H,2-3,6,8,11,13,29-30H2,1H3/b5-4-
InChIKeyOCXMEPDBAOBKGG-PLNGDYQASA-N
XLogP2.31
TPSA163.53 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.53
LogP ≤ 52.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Analyze 5-[6-[(Z)-2-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethenyl]morpholin-2-yl]-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromo-3-(1-methyl-1H-pyrazol-4-yl)-5-(morpholin-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16226178
US9670208, Example 192 4-(3-(isochroman-1-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-(1-methyl-1H-pyrazol-5-yl)pyrimidin-2-amine
CID 118216986
US10280184, Example I.1.3
CID 118466996
US10842803, Structure TABLE 1.32
CID 53362079
US10842803, Structure TABLE 1.53
CID 53390564
N-[4-(7-amino-6-bromo-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-6-fluoro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 71198922
2-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole
CID 168922110
4-(5-(3-(pyridin-3-yl)-1H-pyrazol-1-yl)-2-(tetrahydrofuran-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 168922113
4-(5-(3-(piperidin-3-yl)-1H-pyrazol-1-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 169797325
5-fluoro-N-[2-[2-(1-methylpyrazolo[3,4-b]pyridin-3-yl)morpholin-4-yl]ethyl]-2-morpholin-4-ylpyrimidin-4-amine
CID 168053443
6-bromo-3-(1-methylpyrrol-3-yl)-5-[(2R)-oxan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 58364723
6-Bromo-3-(1-methylpyrrol-3-yl)-5-(oxan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 58364811

Frequently Asked Questions

What is the IUPAC name of 5-[6-[(Z)-2-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethenyl]morpholin-2-yl]-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-[6-[(Z)-2-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethenyl]morpholin-2-yl]-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 143891352) is 5-[6-[(Z)-2-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethenyl]morpholin-2-yl]-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-[6-[(Z)-2-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethenyl]morpholin-2-yl]-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-[6-[(Z)-2-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethenyl]morpholin-2-yl]-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is Cn1cc(-c2cnn3c(N)c(Br)c(C4CNCC(/C=C\c5cnn6c(N)cc(C7CCCNC7)nc56)O4)nc23)cn1.
What is the InChIKey of 5-[6-[(Z)-2-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethenyl]morpholin-2-yl]-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is OCXMEPDBAOBKGG-PLNGDYQASA-N. The full InChI is InChI=1S/C27H31BrN12O/c1-38-14-17(10-33-38)19-12-35-40-25(30)23(28)24(37-27(19)40)21-13-32-11-18(41-21)5-4-16-9-34-39-22(29)7-20(36-26(16)39)15-3-2-6-31-8-15/h4-5,7,9-10,12,14-15,18,21,31-32H,2-3,6,8,11,13,29-30H2,1H3/b5-4-.
What are the key properties of 5-[6-[(Z)-2-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethenyl]morpholin-2-yl]-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
5-[6-[(Z)-2-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethenyl]morpholin-2-yl]-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 619.53 g/mol, XLogP of 2.31, 5 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[(Z)-2-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethenyl]morpholin-2-yl]-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 143891352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).