2-[5-[5-(cyclohexylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine;ethane;2-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine

C52H49N15S2 — CID 145033533

About 2-[5-[5-(cyclohexylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine;ethane;2-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine

2-[5-[5-(cyclohexylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine;ethane;2-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine (PubChem CID 145033533) has the molecular formula C52H49N15S2 and a molecular weight of 948.20 g/mol. Its IUPAC name is 2-[5-[5-(cyclohexylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine;ethane;2-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine.

Molecular Properties

• Compound Name: 2-[5-[5-(cyclohexylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine;ethane;2-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine
• PubChem CID: 145033533
• Molecular Formula: C52H49N15S2
• Molecular Weight: 948.20 g/mol
• Exact Mass: 947.37
• IUPAC Name: 2-[5-[5-(cyclohexylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine;ethane;2-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine
• SMILES: CC.Cc1ccc(-c2nccc3[nH]c(-c4n[nH]c5cnc(-c6cncc(CC7CCCCC7)c6)cc45)nc23)s1.Cc1ccc(-c2nccc3[nH]c(-c4n[nH]c5cnc(-c6cnn(C)c6)cc45)nc23)s1
• InChI: InChI=1S/C29H27N7S.C21H16N8S.C2H6/c1-17-7-8-25(37-17)28-27-22(9-10-31-28)33-29(34-27)26-21-13-23(32-16-24(21)35-36-26)20-12-19(14-30-15-20)11-18-5-3-2-4-6-18;1-11-3-4-17(30-11)20-19-14(5-6-22-20)25-21(26-19)18-13-7-15(12-8-24-29(2)10-12)23-9-16(13)27-28-18;1-2/h7-10,12-16,18H,2-6,11H2,1H3,(H,33,34)(H,35,36);3-10H,1-2H3,(H,25,26)(H,27,28);1-2H3
• InChIKey: HVAFNNHWEINDAR-UHFFFAOYSA-N
• XLogP: 12.48
• TPSA: 196.99 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	948.20
LogP ≤ 5	12.48
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-(cyclohexylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine;ethane;2-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine?

The IUPAC name of 2-[5-[5-(cyclohexylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine;ethane;2-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine (CID 145033533) is 2-[5-[5-(cyclohexylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine;ethane;2-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine.

What is the SMILES notation for 2-[5-[5-(cyclohexylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine;ethane;2-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine?

The canonical SMILES for 2-[5-[5-(cyclohexylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine;ethane;2-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine is CC.Cc1ccc(-c2nccc3[nH]c(-c4n[nH]c5cnc(-c6cncc(CC7CCCCC7)c6)cc45)nc23)s1.Cc1ccc(-c2nccc3[nH]c(-c4n[nH]c5cnc(-c6cnn(C)c6)cc45)nc23)s1.

What is the InChIKey of 2-[5-[5-(cyclohexylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine;ethane;2-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine?

The InChIKey is HVAFNNHWEINDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N7S.C21H16N8S.C2H6/c1-17-7-8-25(37-17)28-27-22(9-10-31-28)33-29(34-27)26-21-13-23(32-16-24(21)35-36-26)20-12-19(14-30-15-20)11-18-5-3-2-4-6-18;1-11-3-4-17(30-11)20-19-14(5-6-22-20)25-21(26-19)18-13-7-15(12-8-24-29(2)10-12)23-9-16(13)27-28-18;1-2/h7-10,12-16,18H,2-6,11H2,1H3,(H,33,34)(H,35,36);3-10H,1-2H3,(H,25,26)(H,27,28);1-2H3.

What are the key properties of 2-[5-[5-(cyclohexylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine;ethane;2-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine?

2-[5-[5-(cyclohexylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine;ethane;2-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine has a molecular weight of 948.20 g/mol, XLogP of 12.48, 8 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[5-(cyclohexylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine;ethane;2-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 145033533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).