8-[7-[4-(1-methylpiperidin-4-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinazoline

C27H25N5 — CID 134356874

IUPAC8-[7-[4-(1-methylpiperidin-4-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinazoline
SMILESCN1CCC(c2ccc(-c3ccn4c(-c5cccc6cncnc56)cnc4c3)cc2)CC1
InChIInChI=1S/C27H25N5/c1-31-12-9-21(10-13-31)19-5-7-20(8-6-19)22-11-14-32-25(17-29-26(32)15-22)24-4-2-3-23-16-28-18-30-27(23)24/h2-8,11,14-18,21H,9-10,12-13H2,1H3
InChIKeyVFTGHRJVAXICIY-UHFFFAOYSA-N
MW419.53 g/mol
LogP5.42
Rot. Bonds3

About 8-[7-[4-(1-methylpiperidin-4-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinazoline

8-[7-[4-(1-methylpiperidin-4-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinazoline (PubChem CID 134356874) has the molecular formula C27H25N5 and a molecular weight of 419.53 g/mol. Its IUPAC name is 8-[7-[4-(1-methylpiperidin-4-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinazoline.

Molecular Properties

Compound Name8-[7-[4-(1-methylpiperidin-4-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinazoline
PubChem CID134356874
Molecular FormulaC27H25N5
Molecular Weight419.53 g/mol
Exact Mass419.21
IUPAC Name8-[7-[4-(1-methylpiperidin-4-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinazoline
SMILESCN1CCC(c2ccc(-c3ccn4c(-c5cccc6cncnc56)cnc4c3)cc2)CC1
InChIInChI=1S/C27H25N5/c1-31-12-9-21(10-13-31)19-5-7-20(8-6-19)22-11-14-32-25(17-29-26(32)15-22)24-4-2-3-23-16-28-18-30-27(23)24/h2-8,11,14-18,21H,9-10,12-13H2,1H3
InChIKeyVFTGHRJVAXICIY-UHFFFAOYSA-N
XLogP5.42
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.53
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenylimidazo[1,2-a]pyridine
CID 56973477
6-fluoro-2-methyl-4-[7-[4-[1-(2-methylpropyl)piperidin-4-yl]phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline
CID 139326717
4-[7-(4-piperidin-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]-1,5-naphthyridine
CID 158981917
7-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]thieno[3,2-d]pyrimidine
CID 139326683
3-(4-fluorophenyl)-7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridine
CID 56973461
6,8-difluoro-2-methyl-4-[7-(4-piperazin-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline
CID 139495368
2-methyl-8-[4-(1-methylpiperidin-4-yl)phenyl]-3H-quinazolin-4-one
CID 175783508
1-[4-[4-(3-quinolin-5-ylimidazo[1,2-a]pyridin-7-yl)phenyl]piperazin-1-yl]ethanone
CID 139326849
3-[4-[3-(2,6-dimethylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]morpholine
CID 158623881
7-(4-tert-butylphenyl)-3-pyridin-4-ylimidazo[1,2-a]pyridine
CID 53393117
2-methyl-4-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline
CID 139326669
3-[4-[3-(6-fluoro-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-5-methylmorpholine
CID 139495369

Frequently Asked Questions

What is the IUPAC name of 8-[7-[4-(1-methylpiperidin-4-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinazoline?
The IUPAC name of 8-[7-[4-(1-methylpiperidin-4-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinazoline (CID 134356874) is 8-[7-[4-(1-methylpiperidin-4-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinazoline.
What is the SMILES notation for 8-[7-[4-(1-methylpiperidin-4-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinazoline?
The canonical SMILES for 8-[7-[4-(1-methylpiperidin-4-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinazoline is CN1CCC(c2ccc(-c3ccn4c(-c5cccc6cncnc56)cnc4c3)cc2)CC1.
What is the InChIKey of 8-[7-[4-(1-methylpiperidin-4-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinazoline?
The InChIKey is VFTGHRJVAXICIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5/c1-31-12-9-21(10-13-31)19-5-7-20(8-6-19)22-11-14-32-25(17-29-26(32)15-22)24-4-2-3-23-16-28-18-30-27(23)24/h2-8,11,14-18,21H,9-10,12-13H2,1H3.
What are the key properties of 8-[7-[4-(1-methylpiperidin-4-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinazoline?
8-[7-[4-(1-methylpiperidin-4-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinazoline has a molecular weight of 419.53 g/mol, XLogP of 5.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[7-[4-(1-methylpiperidin-4-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinazoline is sourced from PubChem (CID 134356874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).