3-[2,6-bis(2-methylimidazo[4,5-b]pyridin-3-yl)pyrimidin-4-yl]-2-methylimidazo[4,5-b]pyridine

C25H19N11 — CID 23399495

IUPAC3-[2,6-bis(2-methylimidazo[4,5-b]pyridin-3-yl)pyrimidin-4-yl]-2-methylimidazo[4,5-b]pyridine
SMILESCc1nc2cccnc2n1-c1cc(-n2c(C)nc3cccnc32)nc(-n2c(C)nc3cccnc32)n1
InChIInChI=1S/C25H19N11/c1-14-29-17-7-4-10-26-22(17)34(14)20-13-21(35-15(2)30-18-8-5-11-27-23(18)35)33-25(32-20)36-16(3)31-19-9-6-12-28-24(19)36/h4-13H,1-3H3
InChIKeyIJLPHRPGNPBHKP-UHFFFAOYSA-N
MW473.50 g/mol
LogP3.60
Rot. Bonds3

About 3-[2,6-bis(2-methylimidazo[4,5-b]pyridin-3-yl)pyrimidin-4-yl]-2-methylimidazo[4,5-b]pyridine

3-[2,6-bis(2-methylimidazo[4,5-b]pyridin-3-yl)pyrimidin-4-yl]-2-methylimidazo[4,5-b]pyridine (PubChem CID 23399495) has the molecular formula C25H19N11 and a molecular weight of 473.50 g/mol. Its IUPAC name is 3-[2,6-bis(2-methylimidazo[4,5-b]pyridin-3-yl)pyrimidin-4-yl]-2-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[2,6-bis(2-methylimidazo[4,5-b]pyridin-3-yl)pyrimidin-4-yl]-2-methylimidazo[4,5-b]pyridine
PubChem CID23399495
Molecular FormulaC25H19N11
Molecular Weight473.50 g/mol
Exact Mass473.18
IUPAC Name3-[2,6-bis(2-methylimidazo[4,5-b]pyridin-3-yl)pyrimidin-4-yl]-2-methylimidazo[4,5-b]pyridine
SMILESCc1nc2cccnc2n1-c1cc(-n2c(C)nc3cccnc32)nc(-n2c(C)nc3cccnc32)n1
InChIInChI=1S/C25H19N11/c1-14-29-17-7-4-10-26-22(17)34(14)20-13-21(35-15(2)30-18-8-5-11-27-23(18)35)33-25(32-20)36-16(3)31-19-9-6-12-28-24(19)36/h4-13H,1-3H3
InChIKeyIJLPHRPGNPBHKP-UHFFFAOYSA-N
XLogP3.60
TPSA117.91 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.50
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 3-[2,6-bis(2-methylimidazo[4,5-b]pyridin-3-yl)pyrimidin-4-yl]-2-methylimidazo[4,5-b]pyridine?
The IUPAC name of 3-[2,6-bis(2-methylimidazo[4,5-b]pyridin-3-yl)pyrimidin-4-yl]-2-methylimidazo[4,5-b]pyridine (CID 23399495) is 3-[2,6-bis(2-methylimidazo[4,5-b]pyridin-3-yl)pyrimidin-4-yl]-2-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[2,6-bis(2-methylimidazo[4,5-b]pyridin-3-yl)pyrimidin-4-yl]-2-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 3-[2,6-bis(2-methylimidazo[4,5-b]pyridin-3-yl)pyrimidin-4-yl]-2-methylimidazo[4,5-b]pyridine is Cc1nc2cccnc2n1-c1cc(-n2c(C)nc3cccnc32)nc(-n2c(C)nc3cccnc32)n1.
What is the InChIKey of 3-[2,6-bis(2-methylimidazo[4,5-b]pyridin-3-yl)pyrimidin-4-yl]-2-methylimidazo[4,5-b]pyridine?
The InChIKey is IJLPHRPGNPBHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N11/c1-14-29-17-7-4-10-26-22(17)34(14)20-13-21(35-15(2)30-18-8-5-11-27-23(18)35)33-25(32-20)36-16(3)31-19-9-6-12-28-24(19)36/h4-13H,1-3H3.
What are the key properties of 3-[2,6-bis(2-methylimidazo[4,5-b]pyridin-3-yl)pyrimidin-4-yl]-2-methylimidazo[4,5-b]pyridine?
3-[2,6-bis(2-methylimidazo[4,5-b]pyridin-3-yl)pyrimidin-4-yl]-2-methylimidazo[4,5-b]pyridine has a molecular weight of 473.50 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,6-bis(2-methylimidazo[4,5-b]pyridin-3-yl)pyrimidin-4-yl]-2-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 23399495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).