2-[3-[5-[4-[2-[4-[7-[6-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4-[5-[10-[5-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidin-2-yl]anthracen-9-yl]pyrimidin-2-yl]-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-pyridinyl]pyrimidin-5-yl]phenyl]pyrimidin-2-yl]phenyl]-7-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)-5-[2-[4-[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-2-pyridinyl]pyrimidin-5-yl]phenyl]pyrimidin-5-yl]phenyl]-[1,3]thiazolo[5,4-b]pyridine

C119H63N27S6 — CID 149230678

About 2-[3-[5-[4-[2-[4-[7-[6-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4-[5-[10-[5-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidin-2-yl]anthracen-9-yl]pyrimidin-2-yl]-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-pyridinyl]pyrimidin-5-yl]phenyl]pyrimidin-2-yl]phenyl]-7-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)-5-[2-[4-[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-2-pyridinyl]pyrimidin-5-yl]phenyl]pyrimidin-5-yl]phenyl]-[1,3]thiazolo[5,4-b]pyridine

2-[3-[5-[4-[2-[4-[7-[6-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4-[5-[10-[5-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidin-2-yl]anthracen-9-yl]pyrimidin-2-yl]-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-pyridinyl]pyrimidin-5-yl]phenyl]pyrimidin-2-yl]phenyl]-7-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)-5-[2-[4-[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-2-pyridinyl]pyrimidin-5-yl]phenyl]pyrimidin-5-yl]phenyl]-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 149230678) has the molecular formula C119H63N27S6 and a molecular weight of 2063.40 g/mol. Its IUPAC name is 2-[3-[5-[4-[2-[4-[7-[6-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4-[5-[10-[5-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidin-2-yl]anthracen-9-yl]pyrimidin-2-yl]-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-pyridinyl]pyrimidin-5-yl]phenyl]pyrimidin-2-yl]phenyl]-7-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)-5-[2-[4-[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-2-pyridinyl]pyrimidin-5-yl]phenyl]pyrimidin-5-yl]phenyl]-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

• Compound Name: 2-[3-[5-[4-[2-[4-[7-[6-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4-[5-[10-[5-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidin-2-yl]anthracen-9-yl]pyrimidin-2-yl]-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-pyridinyl]pyrimidin-5-yl]phenyl]pyrimidin-2-yl]phenyl]-7-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)-5-[2-[4-[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-2-pyridinyl]pyrimidin-5-yl]phenyl]pyrimidin-5-yl]phenyl]-[1,3]thiazolo[5,4-b]pyridine
• PubChem CID: 149230678
• Molecular Formula: C119H63N27S6
• Molecular Weight: 2063.40 g/mol
• Exact Mass: 2061.41
• IUPAC Name: 2-[3-[5-[4-[2-[4-[7-[6-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4-[5-[10-[5-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidin-2-yl]anthracen-9-yl]pyrimidin-2-yl]-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-pyridinyl]pyrimidin-5-yl]phenyl]pyrimidin-2-yl]phenyl]-7-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)-5-[2-[4-[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-2-pyridinyl]pyrimidin-5-yl]phenyl]pyrimidin-5-yl]phenyl]-[1,3]thiazolo[5,4-b]pyridine
• SMILES: c1cc(-c2ncc(-c3ccc(-c4cnc(-c5cc(-c6nc7c(-c8cc(-c9ncc(-c%10c%11ccccc%11c(-c%11ncc(-c%12ccc(-c%13nc%14cccnc%14s%13)cc%12)cn%11)c%11ccccc%10%11)cn9)cc(-c9nc%10cccnc%10s9)n8)ccnc7s6)ccn5)nc4)cc3)cn2)cc(-c2nc3c(-c4cc(-c5cnc(-c6ccc(-c7cnc(-c8cc(-c9nc%10cccnc%10s9)ccn8)nc7)cc6)nc5)cc(-c5nc6cccnc6s5)c4)ccnc3s2)c1
• InChI: InChI=1S/C119H63N27S6/c1-3-14-87-85(12-1)98(86-13-2-4-15-88(86)99(87)107-138-58-81(59-139-107)67-26-30-69(31-27-67)108-141-90-16-6-36-122-113(90)147-108)83-62-132-104(133-63-83)76-50-94(140-97(51-76)117-144-93-19-9-39-125-116(93)152-117)89-35-43-127-119-101(89)146-111(151-119)73-33-41-121-96(49-73)106-134-54-79(55-135-106)65-22-20-64(21-23-65)78-52-130-103(131-53-78)70-10-5-11-71(44-70)110-145-100-84(34-42-126-118(100)150-110)75-45-74(46-77(47-75)112-143-92-18-8-38-124-115(92)149-112)82-60-128-102(129-61-82)68-28-24-66(25-29-68)80-56-136-105(137-57-80)95-48-72(32-40-120-95)109-142-91-17-7-37-123-114(91)148-109/h1-63H
• InChIKey: XKFVRJCFFRIVBD-UHFFFAOYSA-N
• XLogP: 28.29
• TPSA: 348.03 Ų
• H-Bond Acceptors: 33
• Rotatable Bonds: 20
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2063.40
LogP ≤ 5	28.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-[4-[2-[4-[7-[6-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4-[5-[10-[5-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidin-2-yl]anthracen-9-yl]pyrimidin-2-yl]-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-pyridinyl]pyrimidin-5-yl]phenyl]pyrimidin-2-yl]phenyl]-7-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)-5-[2-[4-[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-2-pyridinyl]pyrimidin-5-yl]phenyl]pyrimidin-5-yl]phenyl]-[1,3]thiazolo[5,4-b]pyridine?

The IUPAC name of 2-[3-[5-[4-[2-[4-[7-[6-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4-[5-[10-[5-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidin-2-yl]anthracen-9-yl]pyrimidin-2-yl]-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-pyridinyl]pyrimidin-5-yl]phenyl]pyrimidin-2-yl]phenyl]-7-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)-5-[2-[4-[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-2-pyridinyl]pyrimidin-5-yl]phenyl]pyrimidin-5-yl]phenyl]-[1,3]thiazolo[5,4-b]pyridine (CID 149230678) is 2-[3-[5-[4-[2-[4-[7-[6-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4-[5-[10-[5-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidin-2-yl]anthracen-9-yl]pyrimidin-2-yl]-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-pyridinyl]pyrimidin-5-yl]phenyl]pyrimidin-2-yl]phenyl]-7-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)-5-[2-[4-[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-2-pyridinyl]pyrimidin-5-yl]phenyl]pyrimidin-5-yl]phenyl]-[1,3]thiazolo[5,4-b]pyridine.

What is the SMILES notation for 2-[3-[5-[4-[2-[4-[7-[6-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4-[5-[10-[5-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidin-2-yl]anthracen-9-yl]pyrimidin-2-yl]-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-pyridinyl]pyrimidin-5-yl]phenyl]pyrimidin-2-yl]phenyl]-7-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)-5-[2-[4-[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-2-pyridinyl]pyrimidin-5-yl]phenyl]pyrimidin-5-yl]phenyl]-[1,3]thiazolo[5,4-b]pyridine?

The canonical SMILES for 2-[3-[5-[4-[2-[4-[7-[6-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4-[5-[10-[5-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidin-2-yl]anthracen-9-yl]pyrimidin-2-yl]-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-pyridinyl]pyrimidin-5-yl]phenyl]pyrimidin-2-yl]phenyl]-7-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)-5-[2-[4-[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-2-pyridinyl]pyrimidin-5-yl]phenyl]pyrimidin-5-yl]phenyl]-[1,3]thiazolo[5,4-b]pyridine is c1cc(-c2ncc(-c3ccc(-c4cnc(-c5cc(-c6nc7c(-c8cc(-c9ncc(-c%10c%11ccccc%11c(-c%11ncc(-c%12ccc(-c%13nc%14cccnc%14s%13)cc%12)cn%11)c%11ccccc%10%11)cn9)cc(-c9nc%10cccnc%10s9)n8)ccnc7s6)ccn5)nc4)cc3)cn2)cc(-c2nc3c(-c4cc(-c5cnc(-c6ccc(-c7cnc(-c8cc(-c9nc%10cccnc%10s9)ccn8)nc7)cc6)nc5)cc(-c5nc6cccnc6s5)c4)ccnc3s2)c1.

What is the InChIKey of 2-[3-[5-[4-[2-[4-[7-[6-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4-[5-[10-[5-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidin-2-yl]anthracen-9-yl]pyrimidin-2-yl]-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-pyridinyl]pyrimidin-5-yl]phenyl]pyrimidin-2-yl]phenyl]-7-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)-5-[2-[4-[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-2-pyridinyl]pyrimidin-5-yl]phenyl]pyrimidin-5-yl]phenyl]-[1,3]thiazolo[5,4-b]pyridine?

The InChIKey is XKFVRJCFFRIVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C119H63N27S6/c1-3-14-87-85(12-1)98(86-13-2-4-15-88(86)99(87)107-138-58-81(59-139-107)67-26-30-69(31-27-67)108-141-90-16-6-36-122-113(90)147-108)83-62-132-104(133-63-83)76-50-94(140-97(51-76)117-144-93-19-9-39-125-116(93)152-117)89-35-43-127-119-101(89)146-111(151-119)73-33-41-121-96(49-73)106-134-54-79(55-135-106)65-22-20-64(21-23-65)78-52-130-103(131-53-78)70-10-5-11-71(44-70)110-145-100-84(34-42-126-118(100)150-110)75-45-74(46-77(47-75)112-143-92-18-8-38-124-115(92)149-112)82-60-128-102(129-61-82)68-28-24-66(25-29-68)80-56-136-105(137-57-80)95-48-72(32-40-120-95)109-142-91-17-7-37-123-114(91)148-109/h1-63H.

What are the key properties of 2-[3-[5-[4-[2-[4-[7-[6-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4-[5-[10-[5-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidin-2-yl]anthracen-9-yl]pyrimidin-2-yl]-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-pyridinyl]pyrimidin-5-yl]phenyl]pyrimidin-2-yl]phenyl]-7-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)-5-[2-[4-[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-2-pyridinyl]pyrimidin-5-yl]phenyl]pyrimidin-5-yl]phenyl]-[1,3]thiazolo[5,4-b]pyridine?

2-[3-[5-[4-[2-[4-[7-[6-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4-[5-[10-[5-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidin-2-yl]anthracen-9-yl]pyrimidin-2-yl]-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-pyridinyl]pyrimidin-5-yl]phenyl]pyrimidin-2-yl]phenyl]-7-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)-5-[2-[4-[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-2-pyridinyl]pyrimidin-5-yl]phenyl]pyrimidin-5-yl]phenyl]-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 2063.40 g/mol, XLogP of 28.29, 20 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[5-[4-[2-[4-[7-[6-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4-[5-[10-[5-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidin-2-yl]anthracen-9-yl]pyrimidin-2-yl]-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-pyridinyl]pyrimidin-5-yl]phenyl]pyrimidin-2-yl]phenyl]-7-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)-5-[2-[4-[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-2-pyridinyl]pyrimidin-5-yl]phenyl]pyrimidin-5-yl]phenyl]-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 149230678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).