7-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]thieno[3,2-b]pyridine

C25H23N5S — CID 56973448

IUPAC7-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]thieno[3,2-b]pyridine
SMILESCN1CCN(c2ccc(-c3ccn4c(-c5ccnc6ccsc56)cnc4c3)cc2)CC1
InChIInChI=1S/C25H23N5S/c1-28-11-13-29(14-12-28)20-4-2-18(3-5-20)19-7-10-30-23(17-27-24(30)16-19)21-6-9-26-22-8-15-31-25(21)22/h2-10,15-17H,11-14H2,1H3
InChIKeyKUBYCHKTXZJEGU-UHFFFAOYSA-N
MW425.56 g/mol
LogP5.03
Rot. Bonds3

About 7-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]thieno[3,2-b]pyridine

7-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]thieno[3,2-b]pyridine (PubChem CID 56973448) has the molecular formula C25H23N5S and a molecular weight of 425.56 g/mol. Its IUPAC name is 7-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]thieno[3,2-b]pyridine.

Molecular Properties

Compound Name7-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]thieno[3,2-b]pyridine
PubChem CID56973448
Molecular FormulaC25H23N5S
Molecular Weight425.56 g/mol
Exact Mass425.17
IUPAC Name7-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]thieno[3,2-b]pyridine
SMILESCN1CCN(c2ccc(-c3ccn4c(-c5ccnc6ccsc56)cnc4c3)cc2)CC1
InChIInChI=1S/C25H23N5S/c1-28-11-13-29(14-12-28)20-4-2-18(3-5-20)19-7-10-30-23(17-27-24(30)16-19)21-6-9-26-22-8-15-31-25(21)22/h2-10,15-17H,11-14H2,1H3
InChIKeyKUBYCHKTXZJEGU-UHFFFAOYSA-N
XLogP5.03
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.56
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]thieno[3,2-b]pyridine?
The IUPAC name of 7-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]thieno[3,2-b]pyridine (CID 56973448) is 7-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]thieno[3,2-b]pyridine.
What is the SMILES notation for 7-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]thieno[3,2-b]pyridine?
The canonical SMILES for 7-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]thieno[3,2-b]pyridine is CN1CCN(c2ccc(-c3ccn4c(-c5ccnc6ccsc56)cnc4c3)cc2)CC1.
What is the InChIKey of 7-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]thieno[3,2-b]pyridine?
The InChIKey is KUBYCHKTXZJEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5S/c1-28-11-13-29(14-12-28)20-4-2-18(3-5-20)19-7-10-30-23(17-27-24(30)16-19)21-6-9-26-22-8-15-31-25(21)22/h2-10,15-17H,11-14H2,1H3.
What are the key properties of 7-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]thieno[3,2-b]pyridine?
7-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]thieno[3,2-b]pyridine has a molecular weight of 425.56 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]thieno[3,2-b]pyridine is sourced from PubChem (CID 56973448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).