6-(3,5-dimethylpiperazin-1-yl)-2-[8-fluoro-2-(fluoromethyl)imidazo[1,2-a]pyridin-6-yl]quinazoline

C22H22F2N6 — CID 168977017

IUPAC6-(3,5-dimethylpiperazin-1-yl)-2-[8-fluoro-2-(fluoromethyl)imidazo[1,2-a]pyridin-6-yl]quinazoline
SMILESCC1CN(c2ccc3nc(-c4cc(F)c5nc(CF)cn5c4)ncc3c2)CC(C)N1
InChIInChI=1S/C22H22F2N6/c1-13-9-29(10-14(2)26-13)18-3-4-20-15(5-18)8-25-21(28-20)16-6-19(24)22-27-17(7-23)12-30(22)11-16/h3-6,8,11-14,26H,7,9-10H2,1-2H3
InChIKeyMIKBNHGLKLEQTE-UHFFFAOYSA-N
MW408.46 g/mol
LogP3.74
Rot. Bonds3

About 6-(3,5-dimethylpiperazin-1-yl)-2-[8-fluoro-2-(fluoromethyl)imidazo[1,2-a]pyridin-6-yl]quinazoline

6-(3,5-dimethylpiperazin-1-yl)-2-[8-fluoro-2-(fluoromethyl)imidazo[1,2-a]pyridin-6-yl]quinazoline (PubChem CID 168977017) has the molecular formula C22H22F2N6 and a molecular weight of 408.46 g/mol. Its IUPAC name is 6-(3,5-dimethylpiperazin-1-yl)-2-[8-fluoro-2-(fluoromethyl)imidazo[1,2-a]pyridin-6-yl]quinazoline.

Molecular Properties

Compound Name6-(3,5-dimethylpiperazin-1-yl)-2-[8-fluoro-2-(fluoromethyl)imidazo[1,2-a]pyridin-6-yl]quinazoline
PubChem CID168977017
Molecular FormulaC22H22F2N6
Molecular Weight408.46 g/mol
Exact Mass408.19
IUPAC Name6-(3,5-dimethylpiperazin-1-yl)-2-[8-fluoro-2-(fluoromethyl)imidazo[1,2-a]pyridin-6-yl]quinazoline
SMILESCC1CN(c2ccc3nc(-c4cc(F)c5nc(CF)cn5c4)ncc3c2)CC(C)N1
InChIInChI=1S/C22H22F2N6/c1-13-9-29(10-14(2)26-13)18-3-4-20-15(5-18)8-25-21(28-20)16-6-19(24)22-27-17(7-23)12-30(22)11-16/h3-6,8,11-14,26H,7,9-10H2,1-2H3
InChIKeyMIKBNHGLKLEQTE-UHFFFAOYSA-N
XLogP3.74
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpiperazin-1-yl)-2-[8-fluoro-2-(fluoromethyl)imidazo[1,2-a]pyridin-6-yl]quinazoline?
The IUPAC name of 6-(3,5-dimethylpiperazin-1-yl)-2-[8-fluoro-2-(fluoromethyl)imidazo[1,2-a]pyridin-6-yl]quinazoline (CID 168977017) is 6-(3,5-dimethylpiperazin-1-yl)-2-[8-fluoro-2-(fluoromethyl)imidazo[1,2-a]pyridin-6-yl]quinazoline.
What is the SMILES notation for 6-(3,5-dimethylpiperazin-1-yl)-2-[8-fluoro-2-(fluoromethyl)imidazo[1,2-a]pyridin-6-yl]quinazoline?
The canonical SMILES for 6-(3,5-dimethylpiperazin-1-yl)-2-[8-fluoro-2-(fluoromethyl)imidazo[1,2-a]pyridin-6-yl]quinazoline is CC1CN(c2ccc3nc(-c4cc(F)c5nc(CF)cn5c4)ncc3c2)CC(C)N1.
What is the InChIKey of 6-(3,5-dimethylpiperazin-1-yl)-2-[8-fluoro-2-(fluoromethyl)imidazo[1,2-a]pyridin-6-yl]quinazoline?
The InChIKey is MIKBNHGLKLEQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N6/c1-13-9-29(10-14(2)26-13)18-3-4-20-15(5-18)8-25-21(28-20)16-6-19(24)22-27-17(7-23)12-30(22)11-16/h3-6,8,11-14,26H,7,9-10H2,1-2H3.
What are the key properties of 6-(3,5-dimethylpiperazin-1-yl)-2-[8-fluoro-2-(fluoromethyl)imidazo[1,2-a]pyridin-6-yl]quinazoline?
6-(3,5-dimethylpiperazin-1-yl)-2-[8-fluoro-2-(fluoromethyl)imidazo[1,2-a]pyridin-6-yl]quinazoline has a molecular weight of 408.46 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpiperazin-1-yl)-2-[8-fluoro-2-(fluoromethyl)imidazo[1,2-a]pyridin-6-yl]quinazoline is sourced from PubChem (CID 168977017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).