5-[(3R)-3-aminopyrrolidin-1-yl]-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-(oxan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-(thian-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine

C73H88Br4N26OS — CID 162023551

IUPAC5-[(3R)-3-aminopyrrolidin-1-yl]-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-(oxan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-(thian-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESC/C=C\c1cnn2c(N)cc(C3CCCCC3)nc12.Cc1cnn2c(N)c(Br)c(N3CC[C@@H](N)C3)nc12.Cn1ccc(-c2cnn3c(N)c(Br)c(C4CCCCO4)nc23)c1.Cn1ccc(-c2cnn3c(N)c(Br)c(C4CCCCS4)nc23)c1.Cn1ccc(-c2cnn3c(N)c(Br)c(C4CCNC4)nc23)c1
InChIInChI=1S/C16H18BrN5O.C16H18BrN5S.C15H17BrN6.C15H20N4.C11H15BrN6/c2*1-21-6-5-10(9-21)11-8-19-22-15(18)13(17)14(20-16(11)22)12-4-2-3-7-23-12;1-21-5-3-10(8-21)11-7-19-22-14(17)12(16)13(20-15(11)22)9-2-4-18-6-9;1-2-6-12-10-17-19-14(16)9-13(18-15(12)19)11-7-4-3-5-8-11;1-6-4-15-18-9(14)8(12)11(16-10(6)18)17-3-2-7(13)5-17/h2*5-6,8-9,12H,2-4,7,18H2,1H3;3,5,7-9,18H,2,4,6,17H2,1H3;2,6,9-11H,3-5,7-8,16H2,1H3;4,7H,2-3,5,13-14H2,1H3/b;;;6-2-;/t;;;;7-/m....1/s1
InChIKeyYVBIQYMLBALPLD-LLKXGWMMSA-N
MW1697.37 g/mol
LogP13.83
Rot. Bonds9

About 5-[(3R)-3-aminopyrrolidin-1-yl]-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-(oxan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-(thian-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine

5-[(3R)-3-aminopyrrolidin-1-yl]-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-(oxan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-(thian-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 162023551) has the molecular formula C73H88Br4N26OS and a molecular weight of 1697.37 g/mol. Its IUPAC name is 5-[(3R)-3-aminopyrrolidin-1-yl]-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-(oxan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-(thian-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-[(3R)-3-aminopyrrolidin-1-yl]-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-(oxan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-(thian-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID162023551
Molecular FormulaC73H88Br4N26OS
Molecular Weight1697.37 g/mol
Exact Mass1692.41
IUPAC Name5-[(3R)-3-aminopyrrolidin-1-yl]-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-(oxan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-(thian-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESC/C=C\c1cnn2c(N)cc(C3CCCCC3)nc12.Cc1cnn2c(N)c(Br)c(N3CC[C@@H](N)C3)nc12.Cn1ccc(-c2cnn3c(N)c(Br)c(C4CCCCO4)nc23)c1.Cn1ccc(-c2cnn3c(N)c(Br)c(C4CCCCS4)nc23)c1.Cn1ccc(-c2cnn3c(N)c(Br)c(C4CCNC4)nc23)c1
InChIInChI=1S/C16H18BrN5O.C16H18BrN5S.C15H17BrN6.C15H20N4.C11H15BrN6/c2*1-21-6-5-10(9-21)11-8-19-22-15(18)13(17)14(20-16(11)22)12-4-2-3-7-23-12;1-21-5-3-10(8-21)11-7-19-22-14(17)12(16)13(20-15(11)22)9-2-4-18-6-9;1-2-6-12-10-17-19-14(16)9-13(18-15(12)19)11-7-4-3-5-8-11;1-6-4-15-18-9(14)8(12)11(16-10(6)18)17-3-2-7(13)5-17/h2*5-6,8-9,12H,2-4,7,18H2,1H3;3,5,7-9,18H,2,4,6,17H2,1H3;2,6,9-11H,3-5,7-8,16H2,1H3;4,7H,2-3,5,13-14H2,1H3/b;;;6-2-;/t;;;;7-/m....1/s1
InChIKeyYVBIQYMLBALPLD-LLKXGWMMSA-N
XLogP13.83
TPSA346.36 Ų
H-Bond Donors7
H-Bond Acceptors28
Rotatable Bonds9
Heavy Atoms105
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001697.37
LogP ≤ 513.83
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1028

Analyze 5-[(3R)-3-aminopyrrolidin-1-yl]-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-(oxan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-(thian-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-3-aminopyrrolidin-1-yl]-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-(oxan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-(thian-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-[(3R)-3-aminopyrrolidin-1-yl]-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-(oxan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-(thian-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 162023551) is 5-[(3R)-3-aminopyrrolidin-1-yl]-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-(oxan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-(thian-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-[(3R)-3-aminopyrrolidin-1-yl]-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-(oxan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-(thian-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-[(3R)-3-aminopyrrolidin-1-yl]-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-(oxan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-(thian-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine is C/C=C\c1cnn2c(N)cc(C3CCCCC3)nc12.Cc1cnn2c(N)c(Br)c(N3CC[C@@H](N)C3)nc12.Cn1ccc(-c2cnn3c(N)c(Br)c(C4CCCCO4)nc23)c1.Cn1ccc(-c2cnn3c(N)c(Br)c(C4CCCCS4)nc23)c1.Cn1ccc(-c2cnn3c(N)c(Br)c(C4CCNC4)nc23)c1.
What is the InChIKey of 5-[(3R)-3-aminopyrrolidin-1-yl]-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-(oxan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-(thian-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is YVBIQYMLBALPLD-LLKXGWMMSA-N. The full InChI is InChI=1S/C16H18BrN5O.C16H18BrN5S.C15H17BrN6.C15H20N4.C11H15BrN6/c2*1-21-6-5-10(9-21)11-8-19-22-15(18)13(17)14(20-16(11)22)12-4-2-3-7-23-12;1-21-5-3-10(8-21)11-7-19-22-14(17)12(16)13(20-15(11)22)9-2-4-18-6-9;1-2-6-12-10-17-19-14(16)9-13(18-15(12)19)11-7-4-3-5-8-11;1-6-4-15-18-9(14)8(12)11(16-10(6)18)17-3-2-7(13)5-17/h2*5-6,8-9,12H,2-4,7,18H2,1H3;3,5,7-9,18H,2,4,6,17H2,1H3;2,6,9-11H,3-5,7-8,16H2,1H3;4,7H,2-3,5,13-14H2,1H3/b;;;6-2-;/t;;;;7-/m....1/s1.
What are the key properties of 5-[(3R)-3-aminopyrrolidin-1-yl]-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-(oxan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-(thian-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine?
5-[(3R)-3-aminopyrrolidin-1-yl]-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-(oxan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-(thian-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 1697.37 g/mol, XLogP of 13.83, 9 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-3-aminopyrrolidin-1-yl]-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-(oxan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-(thian-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 162023551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).