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

C60H48N12S2 — CID 145254109

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

2-[5-[5-[(3-methylpyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine;N-(1-phenylethenyl)-5-[3-(4-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine (PubChem CID 145254109) has the molecular formula C60H48N12S2 and a molecular weight of 1001.26 g/mol. Its IUPAC name is 2-[5-[5-[(3-methylpyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine;N-(1-phenylethenyl)-5-[3-(4-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine.

Molecular Properties

• Compound Name: 2-[5-[5-[(3-methylpyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine;N-(1-phenylethenyl)-5-[3-(4-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
• PubChem CID: 145254109
• Molecular Formula: C60H48N12S2
• Molecular Weight: 1001.26 g/mol
• Exact Mass: 1000.36
• IUPAC Name: 2-[5-[5-[(3-methylpyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine;N-(1-phenylethenyl)-5-[3-(4-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
• SMILES: C=C(Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccs6)ccnc5[nH]4)c3c2)c1)c1ccccc1.CC1CCN(Cc2cncc(-c3ccc4[nH]nc(-c5cc6c(-c7cccs7)ccnc6[nH]5)c4c3)c2)C1
• InChI: InChI=1S/C31H22N6S.C29H26N6S/c1-19(20-6-3-2-4-7-20)34-23-14-22(17-32-18-23)21-9-10-27-26(15-21)30(37-36-27)28-16-25-24(29-8-5-13-38-29)11-12-33-31(25)35-28;1-18-7-9-35(16-18)17-19-11-21(15-30-14-19)20-4-5-25-24(12-20)28(34-33-25)26-13-23-22(27-3-2-10-36-27)6-8-31-29(23)32-26/h2-18,34H,1H2,(H,33,35)(H,36,37);2-6,8,10-15,18H,7,9,16-17H2,1H3,(H,31,32)(H,33,34)
• InChIKey: OOTKMYKDFGCLAW-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 2-[5-[5-[(3-methylpyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine;N-(1-phenylethenyl)-5-[3-(4-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine?

The IUPAC name of 2-[5-[5-[(3-methylpyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine;N-(1-phenylethenyl)-5-[3-(4-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine (CID 145254109) is 2-[5-[5-[(3-methylpyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine;N-(1-phenylethenyl)-5-[3-(4-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine.

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

The canonical SMILES for 2-[5-[5-[(3-methylpyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine;N-(1-phenylethenyl)-5-[3-(4-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine is C=C(Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccs6)ccnc5[nH]4)c3c2)c1)c1ccccc1.CC1CCN(Cc2cncc(-c3ccc4[nH]nc(-c5cc6c(-c7cccs7)ccnc6[nH]5)c4c3)c2)C1.

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

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

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

2-[5-[5-[(3-methylpyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine;N-(1-phenylethenyl)-5-[3-(4-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-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 2-[5-[5-[(3-methylpyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine;N-(1-phenylethenyl)-5-[3-(4-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine is sourced from PubChem (CID 145254109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).