2-[3-[4,6-bis(5-pyridin-2-yl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]pyrazolo[1,5-a]quinoline;2-[3-[4,6-bis(5-pyridin-3-yl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]pyrazolo[1,5-a]quinoline;2-[3-[4,6-bis(6-pyridin-2-yl-3-pyridinyl)-1,3,5-triazin-2-yl]phenyl]pyrazolo[1,5-a]quinoline

C120H75N27 — CID 159643946

IUPAC2-[3-[4,6-bis(5-pyridin-2-yl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]pyrazolo[1,5-a]quinoline;2-[3-[4,6-bis(5-pyridin-3-yl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]pyrazolo[1,5-a]quinoline;2-[3-[4,6-bis(6-pyridin-2-yl-3-pyridinyl)-1,3,5-triazin-2-yl]phenyl]pyrazolo[1,5-a]quinoline
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccn5)nc4)nc(-c4cccc(-c5cc6ccc7ccccc7n6n5)c4)n3)cn2)nc1.c1ccc(-c2ccc(-c3nc(-c4cccc(-c5cc6ccc7ccccc7n6n5)c4)nc(-c4ccc(-c5ccccn5)cn4)n3)nc2)nc1.c1cncc(-c2ccc(-c3nc(-c4cccc(-c5cc6ccc7ccccc7n6n5)c4)nc(-c4ccc(-c5cccnc5)cn4)n3)nc2)c1
InChIInChI=1S/3C40H25N9/c1-2-11-37-26(6-1)12-15-33-21-36(48-49(33)37)27-7-3-8-28(20-27)38-45-39(34-16-13-31(24-43-34)29-9-4-18-41-22-29)47-40(46-38)35-17-14-32(25-44-35)30-10-5-19-42-23-30;1-2-13-37-26(8-1)14-17-31-23-36(48-49(31)37)27-9-7-10-28(22-27)38-45-39(29-15-18-34(43-24-29)32-11-3-5-20-41-32)47-40(46-38)30-16-19-35(44-25-30)33-12-4-6-21-42-33;1-2-13-37-26(8-1)14-17-31-23-36(48-49(31)37)27-9-7-10-28(22-27)38-45-39(34-18-15-29(24-43-34)32-11-3-5-20-41-32)47-40(46-38)35-19-16-30(25-44-35)33-12-4-6-21-42-33/h3*1-25H
InChIKeyMQSDNMGGQYYBOV-UHFFFAOYSA-N
MW1895.11 g/mol
LogP24.76
Rot. Bonds18

About 2-[3-[4,6-bis(5-pyridin-2-yl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]pyrazolo[1,5-a]quinoline;2-[3-[4,6-bis(5-pyridin-3-yl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]pyrazolo[1,5-a]quinoline;2-[3-[4,6-bis(6-pyridin-2-yl-3-pyridinyl)-1,3,5-triazin-2-yl]phenyl]pyrazolo[1,5-a]quinoline

2-[3-[4,6-bis(5-pyridin-2-yl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]pyrazolo[1,5-a]quinoline;2-[3-[4,6-bis(5-pyridin-3-yl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]pyrazolo[1,5-a]quinoline;2-[3-[4,6-bis(6-pyridin-2-yl-3-pyridinyl)-1,3,5-triazin-2-yl]phenyl]pyrazolo[1,5-a]quinoline (PubChem CID 159643946) has the molecular formula C120H75N27 and a molecular weight of 1895.11 g/mol. Its IUPAC name is 2-[3-[4,6-bis(5-pyridin-2-yl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]pyrazolo[1,5-a]quinoline;2-[3-[4,6-bis(5-pyridin-3-yl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]pyrazolo[1,5-a]quinoline;2-[3-[4,6-bis(6-pyridin-2-yl-3-pyridinyl)-1,3,5-triazin-2-yl]phenyl]pyrazolo[1,5-a]quinoline.

Molecular Properties

Compound Name2-[3-[4,6-bis(5-pyridin-2-yl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]pyrazolo[1,5-a]quinoline;2-[3-[4,6-bis(5-pyridin-3-yl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]pyrazolo[1,5-a]quinoline;2-[3-[4,6-bis(6-pyridin-2-yl-3-pyridinyl)-1,3,5-triazin-2-yl]phenyl]pyrazolo[1,5-a]quinoline
PubChem CID159643946
Molecular FormulaC120H75N27
Molecular Weight1895.11 g/mol
Exact Mass1893.67
IUPAC Name2-[3-[4,6-bis(5-pyridin-2-yl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]pyrazolo[1,5-a]quinoline;2-[3-[4,6-bis(5-pyridin-3-yl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]pyrazolo[1,5-a]quinoline;2-[3-[4,6-bis(6-pyridin-2-yl-3-pyridinyl)-1,3,5-triazin-2-yl]phenyl]pyrazolo[1,5-a]quinoline
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccn5)nc4)nc(-c4cccc(-c5cc6ccc7ccccc7n6n5)c4)n3)cn2)nc1.c1ccc(-c2ccc(-c3nc(-c4cccc(-c5cc6ccc7ccccc7n6n5)c4)nc(-c4ccc(-c5ccccn5)cn4)n3)nc2)nc1.c1cncc(-c2ccc(-c3nc(-c4cccc(-c5cc6ccc7ccccc7n6n5)c4)nc(-c4ccc(-c5cccnc5)cn4)n3)nc2)c1
InChIInChI=1S/3C40H25N9/c1-2-11-37-26(6-1)12-15-33-21-36(48-49(33)37)27-7-3-8-28(20-27)38-45-39(34-16-13-31(24-43-34)29-9-4-18-41-22-29)47-40(46-38)35-17-14-32(25-44-35)30-10-5-19-42-23-30;1-2-13-37-26(8-1)14-17-31-23-36(48-49(31)37)27-9-7-10-28(22-27)38-45-39(29-15-18-34(43-24-29)32-11-3-5-20-41-32)47-40(46-38)30-16-19-35(44-25-30)33-12-4-6-21-42-33;1-2-13-37-26(8-1)14-17-31-23-36(48-49(31)37)27-9-7-10-28(22-27)38-45-39(34-18-15-29(24-43-34)32-11-3-5-20-41-32)47-40(46-38)35-19-16-30(25-44-35)33-12-4-6-21-42-33/h3*1-25H
InChIKeyMQSDNMGGQYYBOV-UHFFFAOYSA-N
XLogP24.76
TPSA322.59 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds18
Heavy Atoms147
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001895.11
LogP ≤ 524.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Analyze 2-[3-[4,6-bis(5-pyridin-2-yl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]pyrazolo[1,5-a]quinoline;2-[3-[4,6-bis(5-pyridin-3-yl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]pyrazolo[1,5-a]quinoline;2-[3-[4,6-bis(6-pyridin-2-yl-3-pyridinyl)-1,3,5-triazin-2-yl]phenyl]pyrazolo[1,5-a]quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4,6-bis(5-pyridin-2-yl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]pyrazolo[1,5-a]quinoline;2-[3-[4,6-bis(5-pyridin-3-yl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]pyrazolo[1,5-a]quinoline;2-[3-[4,6-bis(6-pyridin-2-yl-3-pyridinyl)-1,3,5-triazin-2-yl]phenyl]pyrazolo[1,5-a]quinoline?
The IUPAC name of 2-[3-[4,6-bis(5-pyridin-2-yl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]pyrazolo[1,5-a]quinoline;2-[3-[4,6-bis(5-pyridin-3-yl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]pyrazolo[1,5-a]quinoline;2-[3-[4,6-bis(6-pyridin-2-yl-3-pyridinyl)-1,3,5-triazin-2-yl]phenyl]pyrazolo[1,5-a]quinoline (CID 159643946) is 2-[3-[4,6-bis(5-pyridin-2-yl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]pyrazolo[1,5-a]quinoline;2-[3-[4,6-bis(5-pyridin-3-yl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]pyrazolo[1,5-a]quinoline;2-[3-[4,6-bis(6-pyridin-2-yl-3-pyridinyl)-1,3,5-triazin-2-yl]phenyl]pyrazolo[1,5-a]quinoline.
What is the SMILES notation for 2-[3-[4,6-bis(5-pyridin-2-yl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]pyrazolo[1,5-a]quinoline;2-[3-[4,6-bis(5-pyridin-3-yl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]pyrazolo[1,5-a]quinoline;2-[3-[4,6-bis(6-pyridin-2-yl-3-pyridinyl)-1,3,5-triazin-2-yl]phenyl]pyrazolo[1,5-a]quinoline?
The canonical SMILES for 2-[3-[4,6-bis(5-pyridin-2-yl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]pyrazolo[1,5-a]quinoline;2-[3-[4,6-bis(5-pyridin-3-yl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]pyrazolo[1,5-a]quinoline;2-[3-[4,6-bis(6-pyridin-2-yl-3-pyridinyl)-1,3,5-triazin-2-yl]phenyl]pyrazolo[1,5-a]quinoline is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccn5)nc4)nc(-c4cccc(-c5cc6ccc7ccccc7n6n5)c4)n3)cn2)nc1.c1ccc(-c2ccc(-c3nc(-c4cccc(-c5cc6ccc7ccccc7n6n5)c4)nc(-c4ccc(-c5ccccn5)cn4)n3)nc2)nc1.c1cncc(-c2ccc(-c3nc(-c4cccc(-c5cc6ccc7ccccc7n6n5)c4)nc(-c4ccc(-c5cccnc5)cn4)n3)nc2)c1.
What is the InChIKey of 2-[3-[4,6-bis(5-pyridin-2-yl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]pyrazolo[1,5-a]quinoline;2-[3-[4,6-bis(5-pyridin-3-yl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]pyrazolo[1,5-a]quinoline;2-[3-[4,6-bis(6-pyridin-2-yl-3-pyridinyl)-1,3,5-triazin-2-yl]phenyl]pyrazolo[1,5-a]quinoline?
The InChIKey is MQSDNMGGQYYBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/3C40H25N9/c1-2-11-37-26(6-1)12-15-33-21-36(48-49(33)37)27-7-3-8-28(20-27)38-45-39(34-16-13-31(24-43-34)29-9-4-18-41-22-29)47-40(46-38)35-17-14-32(25-44-35)30-10-5-19-42-23-30;1-2-13-37-26(8-1)14-17-31-23-36(48-49(31)37)27-9-7-10-28(22-27)38-45-39(29-15-18-34(43-24-29)32-11-3-5-20-41-32)47-40(46-38)30-16-19-35(44-25-30)33-12-4-6-21-42-33;1-2-13-37-26(8-1)14-17-31-23-36(48-49(31)37)27-9-7-10-28(22-27)38-45-39(34-18-15-29(24-43-34)32-11-3-5-20-41-32)47-40(46-38)35-19-16-30(25-44-35)33-12-4-6-21-42-33/h3*1-25H.
What are the key properties of 2-[3-[4,6-bis(5-pyridin-2-yl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]pyrazolo[1,5-a]quinoline;2-[3-[4,6-bis(5-pyridin-3-yl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]pyrazolo[1,5-a]quinoline;2-[3-[4,6-bis(6-pyridin-2-yl-3-pyridinyl)-1,3,5-triazin-2-yl]phenyl]pyrazolo[1,5-a]quinoline?
2-[3-[4,6-bis(5-pyridin-2-yl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]pyrazolo[1,5-a]quinoline;2-[3-[4,6-bis(5-pyridin-3-yl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]pyrazolo[1,5-a]quinoline;2-[3-[4,6-bis(6-pyridin-2-yl-3-pyridinyl)-1,3,5-triazin-2-yl]phenyl]pyrazolo[1,5-a]quinoline has a molecular weight of 1895.11 g/mol, XLogP of 24.76, 18 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4,6-bis(5-pyridin-2-yl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]pyrazolo[1,5-a]quinoline;2-[3-[4,6-bis(5-pyridin-3-yl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]pyrazolo[1,5-a]quinoline;2-[3-[4,6-bis(6-pyridin-2-yl-3-pyridinyl)-1,3,5-triazin-2-yl]phenyl]pyrazolo[1,5-a]quinoline is sourced from PubChem (CID 159643946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).