ethane;N-(4-methylpent-1-en-2-yl)-5-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine;2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine

C51H45N15S2 — CID 145244974

About ethane;N-(4-methylpent-1-en-2-yl)-5-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine;2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine

ethane;N-(4-methylpent-1-en-2-yl)-5-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine;2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine (PubChem CID 145244974) has the molecular formula C51H45N15S2 and a molecular weight of 932.16 g/mol. Its IUPAC name is ethane;N-(4-methylpent-1-en-2-yl)-5-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine;2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine.

Molecular Properties

• Compound Name: ethane;N-(4-methylpent-1-en-2-yl)-5-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine;2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine
• PubChem CID: 145244974
• Molecular Formula: C51H45N15S2
• Molecular Weight: 932.16 g/mol
• Exact Mass: 931.34
• IUPAC Name: ethane;N-(4-methylpent-1-en-2-yl)-5-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine;2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine
• SMILES: C=C(CC(C)C)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccs6)nccc5[nH]4)c3n2)c1.CC.Cc1ccncc1-c1ccc2[nH]nc(-c3nc4c(-c5cccs5)nccc4[nH]3)c2n1
• InChI: InChI=1S/C27H24N8S.C22H15N7S.C2H6/c1-15(2)11-16(3)30-18-12-17(13-28-14-18)19-6-7-21-24(31-19)26(35-34-21)27-32-20-8-9-29-25(23(20)33-27)22-5-4-10-36-22;1-12-6-8-23-11-13(12)14-4-5-16-19(25-14)21(29-28-16)22-26-15-7-9-24-20(18(15)27-22)17-3-2-10-30-17;1-2/h4-10,12-15,30H,3,11H2,1-2H3,(H,32,33)(H,34,35);2-11H,1H3,(H,26,27)(H,28,29);1-2H3
• InChIKey: RDLILXGMFJAUGG-UHFFFAOYSA-N
• XLogP: 12.68
• TPSA: 204.09 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	932.16
LogP ≤ 5	12.68
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of ethane;N-(4-methylpent-1-en-2-yl)-5-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine;2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine?

The IUPAC name of ethane;N-(4-methylpent-1-en-2-yl)-5-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine;2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine (CID 145244974) is ethane;N-(4-methylpent-1-en-2-yl)-5-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine;2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine.

What is the SMILES notation for ethane;N-(4-methylpent-1-en-2-yl)-5-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine;2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine?

The canonical SMILES for ethane;N-(4-methylpent-1-en-2-yl)-5-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine;2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine is C=C(CC(C)C)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccs6)nccc5[nH]4)c3n2)c1.CC.Cc1ccncc1-c1ccc2[nH]nc(-c3nc4c(-c5cccs5)nccc4[nH]3)c2n1.

What is the InChIKey of ethane;N-(4-methylpent-1-en-2-yl)-5-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine;2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine?

The InChIKey is RDLILXGMFJAUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N8S.C22H15N7S.C2H6/c1-15(2)11-16(3)30-18-12-17(13-28-14-18)19-6-7-21-24(31-19)26(35-34-21)27-32-20-8-9-29-25(23(20)33-27)22-5-4-10-36-22;1-12-6-8-23-11-13(12)14-4-5-16-19(25-14)21(29-28-16)22-26-15-7-9-24-20(18(15)27-22)17-3-2-10-30-17;1-2/h4-10,12-15,30H,3,11H2,1-2H3,(H,32,33)(H,34,35);2-11H,1H3,(H,26,27)(H,28,29);1-2H3.

What are the key properties of ethane;N-(4-methylpent-1-en-2-yl)-5-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine;2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine?

ethane;N-(4-methylpent-1-en-2-yl)-5-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine;2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine has a molecular weight of 932.16 g/mol, XLogP of 12.68, 10 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;N-(4-methylpent-1-en-2-yl)-5-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine;2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 145244974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).