3-[7-(cyclopenten-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridine;3-[7-(2,3-dihydrothiophen-4-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridine;ethane;2-[5-(5-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine

C69H65N21S2 — CID 145037409

About 3-[7-(cyclopenten-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridine;3-[7-(2,3-dihydrothiophen-4-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridine;ethane;2-[5-(5-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine

3-[7-(cyclopenten-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridine;3-[7-(2,3-dihydrothiophen-4-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridine;ethane;2-[5-(5-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine (PubChem CID 145037409) has the molecular formula C69H65N21S2 and a molecular weight of 1252.56 g/mol. Its IUPAC name is 3-[7-(cyclopenten-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridine;3-[7-(2,3-dihydrothiophen-4-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridine;ethane;2-[5-(5-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine.

Molecular Properties

• Compound Name: 3-[7-(cyclopenten-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridine;3-[7-(2,3-dihydrothiophen-4-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridine;ethane;2-[5-(5-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine
• PubChem CID: 145037409
• Molecular Formula: C69H65N21S2
• Molecular Weight: 1252.56 g/mol
• Exact Mass: 1251.52
• IUPAC Name: 3-[7-(cyclopenten-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridine;3-[7-(2,3-dihydrothiophen-4-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridine;ethane;2-[5-(5-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine
• SMILES: C1=C(c2cncc3[nH]c(-c4n[nH]c5cnc(-c6ccncc6)cc45)nc23)CCS1.C1=C(c2cncc3[nH]c(-c4n[nH]c5cnc(C6CCNCC6)cc45)nc23)CCC1.CC.CC.Cc1cncc(-c2cc3c(-c4nc5c(-c6ccsc6)cncc5[nH]4)n[nH]c3cn2)c1
• InChI: InChI=1S/C22H15N7S.C22H23N7.C21H15N7S.2C2H6/c1-12-4-14(7-23-6-12)17-5-15-18(10-25-17)28-29-21(15)22-26-19-9-24-8-16(20(19)27-22)13-2-3-30-11-13;1-2-4-13(3-1)16-10-24-11-19-20(16)27-22(26-19)21-15-9-17(14-5-7-23-8-6-14)25-12-18(15)28-29-21;1-4-22-5-2-12(1)16-7-14-17(10-24-16)27-28-20(14)21-25-18-9-23-8-15(19(18)26-21)13-3-6-29-11-13;2*1-2/h2-11H,1H3,(H,26,27)(H,28,29);3,9-12,14,23H,1-2,4-8H2,(H,26,27)(H,28,29);1-2,4-5,7-11H,3,6H2,(H,25,26)(H,27,28);2*1-2H3
• InChIKey: IOFOGKCZIGTACI-UHFFFAOYSA-N
• XLogP: 15.41
• TPSA: 287.23 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 17
• Rotatable Bonds: 9
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1252.56
LogP ≤ 5	15.41
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 3-[7-(cyclopenten-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridine;3-[7-(2,3-dihydrothiophen-4-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridine;ethane;2-[5-(5-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine?

The IUPAC name of 3-[7-(cyclopenten-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridine;3-[7-(2,3-dihydrothiophen-4-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridine;ethane;2-[5-(5-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine (CID 145037409) is 3-[7-(cyclopenten-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridine;3-[7-(2,3-dihydrothiophen-4-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridine;ethane;2-[5-(5-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine.

What is the SMILES notation for 3-[7-(cyclopenten-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridine;3-[7-(2,3-dihydrothiophen-4-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridine;ethane;2-[5-(5-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine?

The canonical SMILES for 3-[7-(cyclopenten-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridine;3-[7-(2,3-dihydrothiophen-4-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridine;ethane;2-[5-(5-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine is C1=C(c2cncc3[nH]c(-c4n[nH]c5cnc(-c6ccncc6)cc45)nc23)CCS1.C1=C(c2cncc3[nH]c(-c4n[nH]c5cnc(C6CCNCC6)cc45)nc23)CCC1.CC.CC.Cc1cncc(-c2cc3c(-c4nc5c(-c6ccsc6)cncc5[nH]4)n[nH]c3cn2)c1.

What is the InChIKey of 3-[7-(cyclopenten-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridine;3-[7-(2,3-dihydrothiophen-4-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridine;ethane;2-[5-(5-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine?

The InChIKey is IOFOGKCZIGTACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N7S.C22H23N7.C21H15N7S.2C2H6/c1-12-4-14(7-23-6-12)17-5-15-18(10-25-17)28-29-21(15)22-26-19-9-24-8-16(20(19)27-22)13-2-3-30-11-13;1-2-4-13(3-1)16-10-24-11-19-20(16)27-22(26-19)21-15-9-17(14-5-7-23-8-6-14)25-12-18(15)28-29-21;1-4-22-5-2-12(1)16-7-14-17(10-24-16)27-28-20(14)21-25-18-9-23-8-15(19(18)26-21)13-3-6-29-11-13;2*1-2/h2-11H,1H3,(H,26,27)(H,28,29);3,9-12,14,23H,1-2,4-8H2,(H,26,27)(H,28,29);1-2,4-5,7-11H,3,6H2,(H,25,26)(H,27,28);2*1-2H3.

What are the key properties of 3-[7-(cyclopenten-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridine;3-[7-(2,3-dihydrothiophen-4-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridine;ethane;2-[5-(5-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine?

3-[7-(cyclopenten-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridine;3-[7-(2,3-dihydrothiophen-4-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridine;ethane;2-[5-(5-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine has a molecular weight of 1252.56 g/mol, XLogP of 15.41, 9 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[7-(cyclopenten-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridine;3-[7-(2,3-dihydrothiophen-4-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridine;ethane;2-[5-(5-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 145037409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).