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

C24H22N6S — CID 162659437

IUPAC7-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]thieno[3,2-d]pyrimidine
SMILESCN1CCN(c2ccc(-c3ccn4c(-c5csc6cncnc56)cnc4c3)cc2)CC1
InChIInChI=1S/C24H22N6S/c1-28-8-10-29(11-9-28)19-4-2-17(3-5-19)18-6-7-30-21(13-26-23(30)12-18)20-15-31-22-14-25-16-27-24(20)22/h2-7,12-16H,8-11H2,1H3
InChIKeyRNVGNVPUVGTLDX-UHFFFAOYSA-N
MW426.55 g/mol
LogP4.42
Rot. Bonds3

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

7-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]thieno[3,2-d]pyrimidine (PubChem CID 162659437) has the molecular formula C24H22N6S and a molecular weight of 426.55 g/mol. Its IUPAC name is 7-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]thieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name7-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]thieno[3,2-d]pyrimidine
PubChem CID162659437
Molecular FormulaC24H22N6S
Molecular Weight426.55 g/mol
Exact Mass426.16
IUPAC Name7-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]thieno[3,2-d]pyrimidine
SMILESCN1CCN(c2ccc(-c3ccn4c(-c5csc6cncnc56)cnc4c3)cc2)CC1
InChIInChI=1S/C24H22N6S/c1-28-8-10-29(11-9-28)19-4-2-17(3-5-19)18-6-7-30-21(13-26-23(30)12-18)20-15-31-22-14-25-16-27-24(20)22/h2-7,12-16H,8-11H2,1H3
InChIKeyRNVGNVPUVGTLDX-UHFFFAOYSA-N
XLogP4.42
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.55
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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-d]pyrimidine?
The IUPAC name of 7-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]thieno[3,2-d]pyrimidine (CID 162659437) is 7-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]thieno[3,2-d]pyrimidine.
What is the SMILES notation for 7-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]thieno[3,2-d]pyrimidine?
The canonical SMILES for 7-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]thieno[3,2-d]pyrimidine is CN1CCN(c2ccc(-c3ccn4c(-c5csc6cncnc56)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-d]pyrimidine?
The InChIKey is RNVGNVPUVGTLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6S/c1-28-8-10-29(11-9-28)19-4-2-17(3-5-19)18-6-7-30-21(13-26-23(30)12-18)20-15-31-22-14-25-16-27-24(20)22/h2-7,12-16H,8-11H2,1H3.
What are the key properties of 7-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]thieno[3,2-d]pyrimidine?
7-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]thieno[3,2-d]pyrimidine has a molecular weight of 426.55 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 7 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-d]pyrimidine is sourced from PubChem (CID 162659437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).