2-[5-(1-cyclopropylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-piperidin-1-yl-1H-imidazo[4,5-c]pyridine

C23H23N9 — CID 136945997

IUPAC2-[5-(1-cyclopropylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-piperidin-1-yl-1H-imidazo[4,5-c]pyridine
SMILESc1cc2[nH]c(-c3[nH]nc4ncc(-c5cnn(C6CC6)c5)cc34)nc2c(N2CCCCC2)n1
InChIInChI=1S/C23H23N9/c1-2-8-31(9-3-1)23-20-18(6-7-24-23)27-22(28-20)19-17-10-14(11-25-21(17)30-29-19)15-12-26-32(13-15)16-4-5-16/h6-7,10-13,16H,1-5,8-9H2,(H,27,28)(H,25,29,30)
InChIKeyMGHBZKJWPLNQAC-UHFFFAOYSA-N
MW425.50 g/mol
LogP4.08
Rot. Bonds4

About 2-[5-(1-cyclopropylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-piperidin-1-yl-1H-imidazo[4,5-c]pyridine

2-[5-(1-cyclopropylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-piperidin-1-yl-1H-imidazo[4,5-c]pyridine (PubChem CID 136945997) has the molecular formula C23H23N9 and a molecular weight of 425.50 g/mol. Its IUPAC name is 2-[5-(1-cyclopropylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-piperidin-1-yl-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[5-(1-cyclopropylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-piperidin-1-yl-1H-imidazo[4,5-c]pyridine
PubChem CID136945997
Molecular FormulaC23H23N9
Molecular Weight425.50 g/mol
Exact Mass425.21
IUPAC Name2-[5-(1-cyclopropylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-piperidin-1-yl-1H-imidazo[4,5-c]pyridine
SMILESc1cc2[nH]c(-c3[nH]nc4ncc(-c5cnn(C6CC6)c5)cc34)nc2c(N2CCCCC2)n1
InChIInChI=1S/C23H23N9/c1-2-8-31(9-3-1)23-20-18(6-7-24-23)27-22(28-20)19-17-10-14(11-25-21(17)30-29-19)15-12-26-32(13-15)16-4-5-16/h6-7,10-13,16H,1-5,8-9H2,(H,27,28)(H,25,29,30)
InChIKeyMGHBZKJWPLNQAC-UHFFFAOYSA-N
XLogP4.08
TPSA104.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[5-(1-cyclopropylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-piperidin-1-yl-1H-imidazo[4,5-c]pyridine with MolForge

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Related Compounds

3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine
CID 136945588
N-[5-[3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 137054936
N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 137054942
2-phenyl-1-[[5-[3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]ethanol
CID 137313876
3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine
CID 136945504
3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
CID 136944995
3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137056909
4-pyridin-2-yl-2-(5-pyridin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-imidazo[4,5-c]pyridine
CID 136945578
2-[5-(5-cyclohexyloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine
CID 136945570
N-[5-[7-fluoro-3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 136935685
N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzamide
CID 136944884
2-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-piperidin-1-yl-1H-imidazo[4,5-c]pyridine
CID 136944307

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-cyclopropylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-piperidin-1-yl-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-[5-(1-cyclopropylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-piperidin-1-yl-1H-imidazo[4,5-c]pyridine (CID 136945997) is 2-[5-(1-cyclopropylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-piperidin-1-yl-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-[5-(1-cyclopropylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-piperidin-1-yl-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-[5-(1-cyclopropylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-piperidin-1-yl-1H-imidazo[4,5-c]pyridine is c1cc2[nH]c(-c3[nH]nc4ncc(-c5cnn(C6CC6)c5)cc34)nc2c(N2CCCCC2)n1.
What is the InChIKey of 2-[5-(1-cyclopropylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-piperidin-1-yl-1H-imidazo[4,5-c]pyridine?
The InChIKey is MGHBZKJWPLNQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N9/c1-2-8-31(9-3-1)23-20-18(6-7-24-23)27-22(28-20)19-17-10-14(11-25-21(17)30-29-19)15-12-26-32(13-15)16-4-5-16/h6-7,10-13,16H,1-5,8-9H2,(H,27,28)(H,25,29,30).
What are the key properties of 2-[5-(1-cyclopropylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-piperidin-1-yl-1H-imidazo[4,5-c]pyridine?
2-[5-(1-cyclopropylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-piperidin-1-yl-1H-imidazo[4,5-c]pyridine has a molecular weight of 425.50 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 7 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]-4-piperidin-1-yl-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 136945997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).