disodium;bis(4-(7-amino-6-bromo-3-thieno[2,3-b]pyridin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid);6-bromo-5-[1-(oxan-4-ylamino)ethyl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[1-(oxan-4-ylamino)ethyl]-3-(2-phenylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[1-(oxan-4-ylamino)ethyl]-3-(6-thiophen-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;hydride

C109H110Br5N29Na2O7S3 — CID 161009490

About disodium;bis(4-(7-amino-6-bromo-3-thieno[2,3-b]pyridin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid);6-bromo-5-[1-(oxan-4-ylamino)ethyl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[1-(oxan-4-ylamino)ethyl]-3-(2-phenylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[1-(oxan-4-ylamino)ethyl]-3-(6-thiophen-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;hydride

disodium;bis(4-(7-amino-6-bromo-3-thieno[2,3-b]pyridin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid);6-bromo-5-[1-(oxan-4-ylamino)ethyl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[1-(oxan-4-ylamino)ethyl]-3-(2-phenylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[1-(oxan-4-ylamino)ethyl]-3-(6-thiophen-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;hydride (PubChem CID 161009490) has the molecular formula C109H110Br5N29Na2O7S3 and a molecular weight of 2479.98 g/mol. Its IUPAC name is disodium;bis(4-(7-amino-6-bromo-3-thieno[2,3-b]pyridin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid);6-bromo-5-[1-(oxan-4-ylamino)ethyl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[1-(oxan-4-ylamino)ethyl]-3-(2-phenylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[1-(oxan-4-ylamino)ethyl]-3-(6-thiophen-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;hydride.

Molecular Properties

• Compound Name: disodium;bis(4-(7-amino-6-bromo-3-thieno[2,3-b]pyridin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid);6-bromo-5-[1-(oxan-4-ylamino)ethyl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[1-(oxan-4-ylamino)ethyl]-3-(2-phenylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[1-(oxan-4-ylamino)ethyl]-3-(6-thiophen-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;hydride
• PubChem CID: 161009490
• Molecular Formula: C109H110Br5N29Na2O7S3
• Molecular Weight: 2479.98 g/mol
• Exact Mass: 2473.40
• IUPAC Name: disodium;bis(4-(7-amino-6-bromo-3-thieno[2,3-b]pyridin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid);6-bromo-5-[1-(oxan-4-ylamino)ethyl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[1-(oxan-4-ylamino)ethyl]-3-(2-phenylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[1-(oxan-4-ylamino)ethyl]-3-(6-thiophen-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;hydride
• SMILES: CC(NC1CCOCC1)c1nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c(N)c1Br.CC(NC1CCOCC1)c1nc2c(-c3ccc(-c4ccsc4)nc3)cnn2c(N)c1Br.CC(NC1CCOCC1)c1nc2c(-c3cnc(-c4ccccc4)nc3)cnn2c(N)c1Br.Nc1c(Br)c(C2CCC(C(=O)O)CC2)nc2c(-c3cnc4sccc4c3)cnn12.Nc1c(Br)c(C2CCC(C(=O)O)CC2)nc2c(-c3cnc4sccc4c3)cnn12.[H-].[H-].[Na+].[Na+]
• InChI: InChI=1S/C24H25BrN6O.C23H24BrN7O.C22H23BrN6OS.2C20H18BrN5O2S.2Na.2H/c1-15(29-18-9-11-32-12-10-18)22-21(25)23(26)31-24(30-22)19(14-28-31)17-7-8-20(27-13-17)16-5-3-2-4-6-16;1-14(29-17-7-9-32-10-8-17)20-19(24)21(25)31-23(30-20)18(13-28-31)16-11-26-22(27-12-16)15-5-3-2-4-6-15;1-13(27-16-4-7-30-8-5-16)20-19(23)21(24)29-22(28-20)17(11-26-29)14-2-3-18(25-10-14)15-6-9-31-12-15;2*21-15-16(10-1-3-11(4-2-10)20(27)28)25-18-14(9-24-26(18)17(15)22)13-7-12-5-6-29-19(12)23-8-13;;;;/h2-8,13-15,18,29H,9-12,26H2,1H3;2-6,11-14,17,29H,7-10,25H2,1H3;2-3,6,9-13,16,27H,4-5,7-8,24H2,1H3;2*5-11H,1-4,22H2,(H,27,28);;;;/q;;;;;2*+1;2*-1
• InChIKey: NPJNTHAZAVDWMY-UHFFFAOYSA-N
• XLogP: 17.01
• TPSA: 496.77 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 37
• Rotatable Bonds: 21
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2479.98
LogP ≤ 5	17.01
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of disodium;bis(4-(7-amino-6-bromo-3-thieno[2,3-b]pyridin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid);6-bromo-5-[1-(oxan-4-ylamino)ethyl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[1-(oxan-4-ylamino)ethyl]-3-(2-phenylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[1-(oxan-4-ylamino)ethyl]-3-(6-thiophen-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;hydride?

The IUPAC name of disodium;bis(4-(7-amino-6-bromo-3-thieno[2,3-b]pyridin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid);6-bromo-5-[1-(oxan-4-ylamino)ethyl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[1-(oxan-4-ylamino)ethyl]-3-(2-phenylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[1-(oxan-4-ylamino)ethyl]-3-(6-thiophen-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;hydride (CID 161009490) is disodium;bis(4-(7-amino-6-bromo-3-thieno[2,3-b]pyridin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid);6-bromo-5-[1-(oxan-4-ylamino)ethyl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[1-(oxan-4-ylamino)ethyl]-3-(2-phenylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[1-(oxan-4-ylamino)ethyl]-3-(6-thiophen-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;hydride.

What is the SMILES notation for disodium;bis(4-(7-amino-6-bromo-3-thieno[2,3-b]pyridin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid);6-bromo-5-[1-(oxan-4-ylamino)ethyl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[1-(oxan-4-ylamino)ethyl]-3-(2-phenylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[1-(oxan-4-ylamino)ethyl]-3-(6-thiophen-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;hydride?

The canonical SMILES for disodium;bis(4-(7-amino-6-bromo-3-thieno[2,3-b]pyridin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid);6-bromo-5-[1-(oxan-4-ylamino)ethyl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[1-(oxan-4-ylamino)ethyl]-3-(2-phenylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[1-(oxan-4-ylamino)ethyl]-3-(6-thiophen-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;hydride is CC(NC1CCOCC1)c1nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c(N)c1Br.CC(NC1CCOCC1)c1nc2c(-c3ccc(-c4ccsc4)nc3)cnn2c(N)c1Br.CC(NC1CCOCC1)c1nc2c(-c3cnc(-c4ccccc4)nc3)cnn2c(N)c1Br.Nc1c(Br)c(C2CCC(C(=O)O)CC2)nc2c(-c3cnc4sccc4c3)cnn12.Nc1c(Br)c(C2CCC(C(=O)O)CC2)nc2c(-c3cnc4sccc4c3)cnn12.[H-].[H-].[Na+].[Na+].

What is the InChIKey of disodium;bis(4-(7-amino-6-bromo-3-thieno[2,3-b]pyridin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid);6-bromo-5-[1-(oxan-4-ylamino)ethyl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[1-(oxan-4-ylamino)ethyl]-3-(2-phenylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[1-(oxan-4-ylamino)ethyl]-3-(6-thiophen-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;hydride?

The InChIKey is NPJNTHAZAVDWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25BrN6O.C23H24BrN7O.C22H23BrN6OS.2C20H18BrN5O2S.2Na.2H/c1-15(29-18-9-11-32-12-10-18)22-21(25)23(26)31-24(30-22)19(14-28-31)17-7-8-20(27-13-17)16-5-3-2-4-6-16;1-14(29-17-7-9-32-10-8-17)20-19(24)21(25)31-23(30-20)18(13-28-31)16-11-26-22(27-12-16)15-5-3-2-4-6-15;1-13(27-16-4-7-30-8-5-16)20-19(23)21(24)29-22(28-20)17(11-26-29)14-2-3-18(25-10-14)15-6-9-31-12-15;2*21-15-16(10-1-3-11(4-2-10)20(27)28)25-18-14(9-24-26(18)17(15)22)13-7-12-5-6-29-19(12)23-8-13;;;;/h2-8,13-15,18,29H,9-12,26H2,1H3;2-6,11-14,17,29H,7-10,25H2,1H3;2-3,6,9-13,16,27H,4-5,7-8,24H2,1H3;2*5-11H,1-4,22H2,(H,27,28);;;;/q;;;;;2*+1;2*-1.

What are the key properties of disodium;bis(4-(7-amino-6-bromo-3-thieno[2,3-b]pyridin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid);6-bromo-5-[1-(oxan-4-ylamino)ethyl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[1-(oxan-4-ylamino)ethyl]-3-(2-phenylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[1-(oxan-4-ylamino)ethyl]-3-(6-thiophen-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;hydride?

disodium;bis(4-(7-amino-6-bromo-3-thieno[2,3-b]pyridin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid);6-bromo-5-[1-(oxan-4-ylamino)ethyl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[1-(oxan-4-ylamino)ethyl]-3-(2-phenylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[1-(oxan-4-ylamino)ethyl]-3-(6-thiophen-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;hydride has a molecular weight of 2479.98 g/mol, XLogP of 17.01, 21 rotatable bonds, 10 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for disodium;bis(4-(7-amino-6-bromo-3-thieno[2,3-b]pyridin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid);6-bromo-5-[1-(oxan-4-ylamino)ethyl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[1-(oxan-4-ylamino)ethyl]-3-(2-phenylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[1-(oxan-4-ylamino)ethyl]-3-(6-thiophen-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;hydride is sourced from PubChem (CID 161009490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).