2-[5-(1-cyclopropylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine;3-[7-(4,4-difluoropiperidin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine;ethane

C46H49F2N19 — CID 145038538

About 2-[5-(1-cyclopropylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine;3-[7-(4,4-difluoropiperidin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine;ethane

2-[5-(1-cyclopropylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine;3-[7-(4,4-difluoropiperidin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine;ethane (PubChem CID 145038538) has the molecular formula C46H49F2N19 and a molecular weight of 906.03 g/mol. Its IUPAC name is 2-[5-(1-cyclopropylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine;3-[7-(4,4-difluoropiperidin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine;ethane.

Molecular Properties

• Compound Name: 2-[5-(1-cyclopropylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine;3-[7-(4,4-difluoropiperidin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine;ethane
• PubChem CID: 145038538
• Molecular Formula: C46H49F2N19
• Molecular Weight: 906.03 g/mol
• Exact Mass: 905.44
• IUPAC Name: 2-[5-(1-cyclopropylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine;3-[7-(4,4-difluoropiperidin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine;ethane
• SMILES: CC.CN1CCN(c2ccnc3nc(-c4[nH]nc5ncc(-c6cnn(C7CC7)c6)cc45)[nH]c23)CC1.Cn1cc(-c2cnc3n[nH]c(-c4nc5nccc(N6CCC(F)(F)CC6)c5[nH]4)c3c2)cn1
• InChI: InChI=1S/C23H24N10.C21H19F2N9.C2H6/c1-31-6-8-32(9-7-31)18-4-5-24-22-20(18)27-23(28-22)19-17-10-14(11-25-21(17)30-29-19)15-12-26-33(13-15)16-2-3-16;1-31-11-13(10-26-31)12-8-14-16(29-30-18(14)25-9-12)20-27-17-15(2-5-24-19(17)28-20)32-6-3-21(22,23)4-7-32;1-2/h4-5,10-13,16H,2-3,6-9H2,1H3,(H,24,27,28)(H,25,29,30);2,5,8-11H,3-4,6-7H2,1H3,(H,24,27,28)(H,25,29,30);1-2H3
• InChIKey: VPRLFFUVFWDVPT-UHFFFAOYSA-N
• XLogP: 7.40
• TPSA: 211.64 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 7
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	906.03
LogP ≤ 5	7.40
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-cyclopropylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine;3-[7-(4,4-difluoropiperidin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine;ethane?

The IUPAC name of 2-[5-(1-cyclopropylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine;3-[7-(4,4-difluoropiperidin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine;ethane (CID 145038538) is 2-[5-(1-cyclopropylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine;3-[7-(4,4-difluoropiperidin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine;ethane.

What is the SMILES notation for 2-[5-(1-cyclopropylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine;3-[7-(4,4-difluoropiperidin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine;ethane?

The canonical SMILES for 2-[5-(1-cyclopropylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine;3-[7-(4,4-difluoropiperidin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine;ethane is CC.CN1CCN(c2ccnc3nc(-c4[nH]nc5ncc(-c6cnn(C7CC7)c6)cc45)[nH]c23)CC1.Cn1cc(-c2cnc3n[nH]c(-c4nc5nccc(N6CCC(F)(F)CC6)c5[nH]4)c3c2)cn1.

What is the InChIKey of 2-[5-(1-cyclopropylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine;3-[7-(4,4-difluoropiperidin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine;ethane?

The InChIKey is VPRLFFUVFWDVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N10.C21H19F2N9.C2H6/c1-31-6-8-32(9-7-31)18-4-5-24-22-20(18)27-23(28-22)19-17-10-14(11-25-21(17)30-29-19)15-12-26-33(13-15)16-2-3-16;1-31-11-13(10-26-31)12-8-14-16(29-30-18(14)25-9-12)20-27-17-15(2-5-24-19(17)28-20)32-6-3-21(22,23)4-7-32;1-2/h4-5,10-13,16H,2-3,6-9H2,1H3,(H,24,27,28)(H,25,29,30);2,5,8-11H,3-4,6-7H2,1H3,(H,24,27,28)(H,25,29,30);1-2H3.

What are the key properties of 2-[5-(1-cyclopropylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine;3-[7-(4,4-difluoropiperidin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine;ethane?

2-[5-(1-cyclopropylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine;3-[7-(4,4-difluoropiperidin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine;ethane has a molecular weight of 906.03 g/mol, XLogP of 7.40, 7 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(1-cyclopropylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine;3-[7-(4,4-difluoropiperidin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine;ethane is sourced from PubChem (CID 145038538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).