5-[5-[(3-methylpyrrolidin-1-yl)methyl]-3-pyridinyl]-3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridine;N-(1-phenylethenyl)-5-[3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine

C60H48N12S2 — CID 145249848

About 5-[5-[(3-methylpyrrolidin-1-yl)methyl]-3-pyridinyl]-3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridine;N-(1-phenylethenyl)-5-[3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine

5-[5-[(3-methylpyrrolidin-1-yl)methyl]-3-pyridinyl]-3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridine;N-(1-phenylethenyl)-5-[3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine (PubChem CID 145249848) has the molecular formula C60H48N12S2 and a molecular weight of 1001.26 g/mol. Its IUPAC name is 5-[5-[(3-methylpyrrolidin-1-yl)methyl]-3-pyridinyl]-3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridine;N-(1-phenylethenyl)-5-[3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine.

Molecular Properties

• Compound Name: 5-[5-[(3-methylpyrrolidin-1-yl)methyl]-3-pyridinyl]-3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridine;N-(1-phenylethenyl)-5-[3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
• PubChem CID: 145249848
• Molecular Formula: C60H48N12S2
• Molecular Weight: 1001.26 g/mol
• Exact Mass: 1000.36
• IUPAC Name: 5-[5-[(3-methylpyrrolidin-1-yl)methyl]-3-pyridinyl]-3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridine;N-(1-phenylethenyl)-5-[3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
• SMILES: C=C(Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccs6)cccc5[nH]4)c3n2)c1)c1ccccc1.CC1CCN(Cc2cncc(-c3ccc4[nH]nc(-c5cc6c(-c7cccs7)cccc6[nH]5)c4n3)c2)C1
• InChI: InChI=1S/C31H22N6S.C29H26N6S/c1-19(20-7-3-2-4-8-20)33-22-15-21(17-32-18-22)25-12-13-27-30(35-25)31(37-36-27)28-16-24-23(29-11-6-14-38-29)9-5-10-26(24)34-28;1-18-9-10-35(16-18)17-19-12-20(15-30-14-19)23-7-8-25-28(32-23)29(34-33-25)26-13-22-21(27-6-3-11-36-27)4-2-5-24(22)31-26/h2-18,33-34H,1H2,(H,36,37);2-8,11-15,18,31H,9-10,16-17H2,1H3,(H,33,34)
• InChIKey: KNKLFBIAHFNWJY-UHFFFAOYSA-N
• XLogP: 14.72
• TPSA: 155.77 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1001.26
LogP ≤ 5	14.72
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(3-methylpyrrolidin-1-yl)methyl]-3-pyridinyl]-3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridine;N-(1-phenylethenyl)-5-[3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine?

The IUPAC name of 5-[5-[(3-methylpyrrolidin-1-yl)methyl]-3-pyridinyl]-3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridine;N-(1-phenylethenyl)-5-[3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine (CID 145249848) is 5-[5-[(3-methylpyrrolidin-1-yl)methyl]-3-pyridinyl]-3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridine;N-(1-phenylethenyl)-5-[3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine.

What is the SMILES notation for 5-[5-[(3-methylpyrrolidin-1-yl)methyl]-3-pyridinyl]-3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridine;N-(1-phenylethenyl)-5-[3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine?

The canonical SMILES for 5-[5-[(3-methylpyrrolidin-1-yl)methyl]-3-pyridinyl]-3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridine;N-(1-phenylethenyl)-5-[3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine is C=C(Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccs6)cccc5[nH]4)c3n2)c1)c1ccccc1.CC1CCN(Cc2cncc(-c3ccc4[nH]nc(-c5cc6c(-c7cccs7)cccc6[nH]5)c4n3)c2)C1.

What is the InChIKey of 5-[5-[(3-methylpyrrolidin-1-yl)methyl]-3-pyridinyl]-3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridine;N-(1-phenylethenyl)-5-[3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine?

The InChIKey is KNKLFBIAHFNWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22N6S.C29H26N6S/c1-19(20-7-3-2-4-8-20)33-22-15-21(17-32-18-22)25-12-13-27-30(35-25)31(37-36-27)28-16-24-23(29-11-6-14-38-29)9-5-10-26(24)34-28;1-18-9-10-35(16-18)17-19-12-20(15-30-14-19)23-7-8-25-28(32-23)29(34-33-25)26-13-22-21(27-6-3-11-36-27)4-2-5-24(22)31-26/h2-18,33-34H,1H2,(H,36,37);2-8,11-15,18,31H,9-10,16-17H2,1H3,(H,33,34).

What are the key properties of 5-[5-[(3-methylpyrrolidin-1-yl)methyl]-3-pyridinyl]-3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridine;N-(1-phenylethenyl)-5-[3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine?

5-[5-[(3-methylpyrrolidin-1-yl)methyl]-3-pyridinyl]-3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridine;N-(1-phenylethenyl)-5-[3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine has a molecular weight of 1001.26 g/mol, XLogP of 14.72, 11 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[(3-methylpyrrolidin-1-yl)methyl]-3-pyridinyl]-3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridine;N-(1-phenylethenyl)-5-[3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine is sourced from PubChem (CID 145249848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).