ethane;1-[6-[3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine;3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine

C46H50N20 — CID 145033600

About ethane;1-[6-[3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine;3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine

ethane;1-[6-[3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine;3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine (PubChem CID 145033600) has the molecular formula C46H50N20 and a molecular weight of 883.05 g/mol. Its IUPAC name is ethane;1-[6-[3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine;3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

• Compound Name: ethane;1-[6-[3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine;3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
• PubChem CID: 145033600
• Molecular Formula: C46H50N20
• Molecular Weight: 883.05 g/mol
• Exact Mass: 882.45
• IUPAC Name: ethane;1-[6-[3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine;3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
• SMILES: CC.NC1CN(c2cncc(-c3cc4c(-c5nc6c(N7CCCCC7)nccc6[nH]5)n[nH]c4cn3)n2)C1.c1cc2[nH]c(-c3n[nH]c4cnc(-c5cn[nH]c5)cc34)nc2c(N2CCCCC2)n1
• InChI: InChI=1S/C24H25N11.C20H19N9.C2H6/c25-14-12-35(13-14)20-11-26-9-19(29-20)17-8-15-18(10-28-17)32-33-21(15)23-30-16-4-5-27-24(22(16)31-23)34-6-2-1-3-7-34;1-2-6-29(7-3-1)20-18-14(4-5-21-20)25-19(26-18)17-13-8-15(12-9-23-24-10-12)22-11-16(13)27-28-17;1-2/h4-5,8-11,14H,1-3,6-7,12-13,25H2,(H,30,31)(H,32,33);4-5,8-11H,1-3,6-7H2,(H,23,24)(H,25,26)(H,27,28);1-2H3
• InChIKey: LDAJXQUAUAJWAO-UHFFFAOYSA-N
• XLogP: 6.79
• TPSA: 256.48 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 15
• Rotatable Bonds: 7
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	883.05
LogP ≤ 5	6.79
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of ethane;1-[6-[3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine;3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine?

The IUPAC name of ethane;1-[6-[3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine;3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine (CID 145033600) is ethane;1-[6-[3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine;3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine.

What is the SMILES notation for ethane;1-[6-[3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine;3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine?

The canonical SMILES for ethane;1-[6-[3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine;3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine is CC.NC1CN(c2cncc(-c3cc4c(-c5nc6c(N7CCCCC7)nccc6[nH]5)n[nH]c4cn3)n2)C1.c1cc2[nH]c(-c3n[nH]c4cnc(-c5cn[nH]c5)cc34)nc2c(N2CCCCC2)n1.

What is the InChIKey of ethane;1-[6-[3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine;3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine?

The InChIKey is LDAJXQUAUAJWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N11.C20H19N9.C2H6/c25-14-12-35(13-14)20-11-26-9-19(29-20)17-8-15-18(10-28-17)32-33-21(15)23-30-16-4-5-27-24(22(16)31-23)34-6-2-1-3-7-34;1-2-6-29(7-3-1)20-18-14(4-5-21-20)25-19(26-18)17-13-8-15(12-9-23-24-10-12)22-11-16(13)27-28-17;1-2/h4-5,8-11,14H,1-3,6-7,12-13,25H2,(H,30,31)(H,32,33);4-5,8-11H,1-3,6-7H2,(H,23,24)(H,25,26)(H,27,28);1-2H3.

What are the key properties of ethane;1-[6-[3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine;3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine?

ethane;1-[6-[3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine;3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 883.05 g/mol, XLogP of 6.79, 7 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;1-[6-[3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine;3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 145033600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).